KNApSAcK Metabolite Information

input word = C00005413

Metabolite Information

Structural formula

Name

Rutin
Quercetin 3-O-rutinoside
Birutan
Quercetin 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
Quercetin 3-O-beta-rutinoside
(+)-Quercetin 3-O-beta-rutinoside
(+)-Quercetin 3-O-rutinoside
3,3',4',5,7-Pentahydroxyflavone 3-rutinoside
3-Rutinosylquercetin

Formula

C27H30O16

610.15338491

CAS RN

153-18-4

C_ID

C00005413 ,

InChIKey

IKGXIBQEEMLURG-UYYJLDMENA-N

InChICode

InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1

SMILES

c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	Alliaceae	Allium Sativum	Ref.
Plantae	Amaranthaceae	Amaranthus spinosus	Ref.
Plantae	Amaryllidaceae	Galanthus caucasicus	Ref.
Plantae	Annonaceae	Annona muricata	Ref.
Plantae	Annonaceae	Xylopia poilanei	Ref.
Plantae	Apiaceae	Bupleurum rotundifolium L.	Ref.
Plantae	Apiaceae	Glehnia littoralis	Ref.
Plantae	Apiaceae	Tordylium apulum	Ref.
Plantae	Apocynaceae	Nerium oleander	Ref.
Plantae	Araliaceae	Cussonia bojeri SEEM	Ref.
Plantae	Araliaceae	Cussonia racemosa	Ref.
Plantae	Araliaceae	Cussonia vantsilana Baker	Ref.
Plantae	Aristolochiaceae	Aristolochia kaempferi	Ref.
Plantae	Asparagaceae	Asparagus officinalis	Ref.
Plantae	Asphodelaceae	Aloe vera	Ref.
Plantae	Asteraceae	Achillea alexandri-regis Bornm.& Rudski	Ref.
Plantae	Asteraceae	Achillea millefolium	Ref.
Plantae	Asteraceae	Artemisia annua	Ref.
Plantae	Asteraceae	Artemisia scoparia	Ref.
Plantae	Asteraceae	Baccharis gaudichaudiana DC	Ref.
Plantae	Asteraceae	Bellis perennis	Ref.
Plantae	Asteraceae	Calendula officinalis	Ref.
Plantae	Asteraceae	Carthamus tinctorius	Ref.
Plantae	Asteraceae	Cirsium setosum	Ref.
Plantae	Asteraceae	Conyza filaginoides	Ref.
Plantae	Asteraceae	Dichrocephala bicolor	Ref.
Plantae	Asteraceae	Eupatorium microphyllum	Ref.
Plantae	Asteraceae	Lactuca indica	Ref.
Plantae	Asteraceae	Matricaria chamomilla	Ref.
Plantae	Asteraceae	Pulicaria salviifolia	Ref.
Plantae	Asteraceae	Saussurea gnaphaloides	Ref.
Plantae	Asteraceae	Saussurea graminea	Ref.
Plantae	Asteraceae	Saussurea involucrata	Ref.
Plantae	Asteraceae	Saussurea nigrescens	Ref.
Plantae	Asteraceae	Saussurea parviflora	Ref.
Plantae	Asteraceae	Saussurea pulchella	Ref.
Plantae	Asteraceae	Senecio nemorensis	Ref.
Plantae	Asteraceae	Senecio viravira	Ref.
Plantae	Asteraceae	Senecio yegua	Ref.
Plantae	Asteraceae	Silphium perfoliatum L.	Ref.
Plantae	Asteraceae	Solidago altissima	Ref.
Plantae	Asteraceae	Solidago virgaurea	Ref.
Plantae	Asteraceae	Tussilago farfara	Ref.
Plantae	Betulaceae	Betula nigra	Ref.
Plantae	Boraginaceae	Alkanna orientalis	Ref.
Plantae	Boraginaceae	Cordia macleodii	Ref.
Plantae	Cactaceae	Opuntia dillenii	Ref.
Plantae	Campanulaceae/Lobeliaceae	Campanula glomerata L.	Ref.
Plantae	Cannabaceae	Humulus lupulus	Ref.
Plantae	Capparaceae	Capparis spinosa L.	Ref.
Plantae	Caricaceae	Carica papaya	Ref.
Plantae	Crassulaceae	Sedum ewersii	Ref.
Plantae	Cucurbitaceae	Gynostemma cardiospermum	Ref.
Plantae	Cucurbitaceae	Gynostemma pentaphyllum	Ref.
Plantae	Cucurbitaceae	Momordica charantia	Ref.
Plantae	Ebenaceae	Diospyros rhombifolia	Ref.
Plantae	Elaeagnaceae	Hippophae neurocarpa	Ref.
Plantae	Elaeagnaceae	Hippophae rhamnoides	Ref.
Plantae	Elaeagnaceae	Hippophae rhamnoides subsp.gyantsensis	Ref.
Plantae	Elaeagnaceae	Hippophae rhamnoides subsp.sinensis	Ref.
Plantae	Elaeagnaceae	Hippophae rhamnoides subsp.turkestanica	Ref.
Plantae	Elaeagnaceae	Hippophae rhamnoides subsp.yunnanensis	Ref.
Plantae	Elaeagnaceae	Hippophae thibetata	Ref.
Plantae	Ephedraceae	Ephedra campylopoda	Ref.
Plantae	Erythroxylaceae	Erythroxylum cambodianum	Ref.
Plantae	Eucommiaceae	Eucommia ulmoides Oliv.	Ref.
Plantae	Euphorbiaceae	Euphorbia hirta	Ref.
Plantae	Euphorbiaceae	Euphorbia larica	Ref.
Plantae	Euphorbiaceae	Euphorbia magalanta	Ref.
Plantae	Euphorbiaceae	Euphorbia tinctoria	Ref.
Plantae	Euphorbiaceae	Euphorbia virgata	Ref.
Plantae	Euphorbiaceae	Macaranga tanarius	Ref.
Plantae	Euphorbiaceae	Mallotus japonicus	Ref.
Plantae	Fabaceae	Caesalpinia pulcherrima	Ref.
Plantae	Fabaceae	Cassia hirsuta	Ref.
Plantae	Fabaceae	Clitoria ternatea	Ref.
Plantae	Fabaceae	Glycyrrhiza glabra L.	Ref.
Plantae	Fabaceae	Glycyrrhiza uralensis	Ref.
Plantae	Fabaceae	Onobrychis amoena	Ref.
Plantae	Fabaceae	Onobrychis bobrovi	Ref.
Plantae	Fabaceae	Onobrychis chlorassanica	Ref.
Plantae	Fabaceae	Onobrychis echidna	Ref.
Plantae	Fabaceae	Onobrychis ferganica	Ref.
Plantae	Fabaceae	Onobrychis grandis	Ref.
Plantae	Fabaceae	Onobrychis seravschanica	Ref.
Plantae	Fabaceae	Peltophorum africanum	Ref.
Plantae	Fabaceae	Sophora flavescens	Ref.
Plantae	Fabaceae	Sophora japonica	Ref.
Plantae	Fabaceae	Styphnolobium japonicum	Ref.
Plantae	Geraniaceae	Pelargonium reniforme	Ref.
Plantae	Ginkgoaceae	Ginkgo biloba	Ref.
Plantae	Haemodoraceae	Anigozanthos pulcherrimus	Ref.
Plantae	Haemodoraceae	Anigozanthos rufus	Ref.
Plantae	Hydrocharitaceae	Thalassia ciliatum	Ref.
Plantae	Hypericaceae	Hypericum ascyron	Ref.
Plantae	Hypericaceae	Hypericum curvisepalum	Ref.
Plantae	Hypericaceae	Hypericum elodeoides	Ref.
Plantae	Hypericaceae	Hypericum faberi	Ref.
Plantae	Hypericaceae	Hypericum patulum	Ref.
Plantae	Hypericaceae	Hypericum perforatum var.angustifolium	Ref.
Plantae	Hypericaceae	Hypericum wightianum	Ref.
Plantae	Labiatae	Ajuga remota	Ref.
Plantae	Labiatae	Leonurus heterophyllus	Ref.
Plantae	Labiatae	Marsypianthes chamaedrys	Ref.
Plantae	Labiatae	Phlomis caucasica	Ref.
Plantae	Labiatae	Stachys palustris L.	Ref.
Plantae	Lauraceae	Cassytha filiformis	Ref.
Plantae	Lauraceae	Lindera megaphylla	Ref.
Plantae	Loranthaceae	Scurrula atropurpurea	Ref.
Plantae	Lygodiaceae/Schizaeaceae	Lygodium flexuosum	Ref.
Plantae	Lythraceae	Punica granatum	Ref.
Plantae	Magnoliaceae	Magnolia denudata	Ref.
Plantae	Magnoliaceae	Magnolia liliiflora	Ref.
Plantae	Malvaceae	Kleinhovia hospita	Ref.
Plantae	Meliaceae	Azadirachta indica	Ref.
Plantae	Meliaceae	Toona sinensis	Ref.
Plantae	Menyanthaceae	Menyanthes trifoliata L.	Ref.
Plantae	Moraceae	Ficus carica	Ref.
Plantae	Moraceae	Ficus pumila	Ref.
Plantae	Moraceae	Ficus ruficaulis Merr.var.antaoensis	Ref.
Plantae	Moraceae	Morus alba	Ref.
Plantae	Musaceae	Musa acuminata	Ref.
Plantae	Myrtaceae	Eucalyptus camaldulensis	Ref.
Plantae	Myrtaceae	Eucalyptus globulus	Ref.
Plantae	Oleaceae	Forsythia suspensa	Ref.
Plantae	Oleaceae	Fraxinus oxycarba	Ref.
Plantae	Oleaceae	Olea europaea L.	Ref.
Plantae	Oleaceae	Syringa vulgaris L.	Ref.
Plantae	Onagraceae	Fuchsia fulgens	Ref.
Plantae	Philydraceae	Philydrum lanuginosum	Ref.
Plantae	Phyllanthaceae	Phyllanthus emblica	Ref.
Plantae	Phyllanthaceae	Phyllanthus niruri	Ref.
Plantae	Phyllanthaceae	Phyllanthus urinaria	Ref.
Plantae	Piperaceae	Piper umbellatum	Ref.
Plantae	Podocarpaceae	Podocarpus fasciculus	Ref.
Plantae	Polygonaceae	Fagopyrum cymosum	Ref.
Plantae	Polygonaceae	Fagopyrum esculentum	Ref.
Plantae	Polygonaceae	Fagopyrum homotropicum	Ref.
Plantae	Polygonaceae	Fagopyrum tataricum	Ref.
Plantae	Polygonaceae	Polygonum cuspidatum	Ref.
Plantae	Polygonaceae	Polygonum spp.	Ref.
Plantae	Polygonaceae	Rumex japonicus	Ref.
Plantae	Posidoniaceae	Posidonia oceanica	Ref.
Plantae	Ranunculaceae	Thalictrum foetidum	Ref.
Plantae	Rhamnaceae	Berchemia polyphylla var.leioclada	Ref.
Plantae	Rhamnaceae	Colubrina asiatica	Ref.
Plantae	Rhamnaceae	Ziziphus jujuba	Ref.
Plantae	Rhizophoraceae	Bruguiera sexangula var.rhynchopetala	Ref.
Plantae	Rosaceae	Agrimonia pilosa var.japonica	Ref.
Plantae	Rosaceae	Crataegus cuneata	Ref.
Plantae	Rosaceae	Crataegus hupehensis	Ref.
Plantae	Rosaceae	Crataegus kansuensis	Ref.
Plantae	Rosaceae	Crataegus maximowiczii	Ref.
Plantae	Rosaceae	Crataegus monogyna L.	Ref.
Plantae	Rosaceae	Crataegus pinnatifida	Ref.
Plantae	Rosaceae	Crataegus pinnatifida var.major	Ref.
Plantae	Rosaceae	Crataegus pinnatifida var.psilosa	Ref.
Plantae	Rosaceae	Crataegus sanguinea	Ref.
Plantae	Rosaceae	Crataegus scabrifolia	Ref.
Plantae	Rosaceae	Malus doumeri varl formosana	Ref.
Plantae	Rosaceae	Parageum montanum	Ref.
Plantae	Rosaceae	Prunus mume	Ref.
Plantae	Rubiaceae	Cruciata taurica	Ref.
Plantae	Rubiaceae	Morinda citrifolia	Ref.
Plantae	Rubiaceae	Oldenlandia corymbosa	Ref.
Plantae	Rubiaceae	Sinoadina racemosa	Ref.
Plantae	Rubiaceae	Spermacoce laevis Roxb.	Ref.
Plantae	Rubiaceae	Uncaria elliptica	Ref.
Plantae	Rubiaceae	Uncaria hirsuta	Ref.
Plantae	Rutaceae	Ruta graveolens	Ref.
Plantae	Salicaceae	Salix songorica	Ref.
Plantae	Saururaceae	Houttuynia cordata	Ref.
Plantae	Solanaceae	Hyoscyamus niger	Ref.
Plantae	Solanaceae	Oryctes nevadensis	Ref.
Plantae	Solanaceae	Solanum acaule	Ref.
Plantae	Solanaceae	Solanum bulbocastanum	Ref.
Plantae	Solanaceae	Solanum canasense	Ref.
Plantae	Solanaceae	Solanum cardiophyllum	Ref.
Plantae	Solanaceae	Solanum fendleri	Ref.
Plantae	Solanaceae	Solanum hougasii	Ref.
Plantae	Solanaceae	Solanum lycopersicum	Ref.
Plantae	Solanaceae	Solanum phureja	Ref.
Plantae	Solanaceae	Solanum pinnacritisectum	Ref.
Plantae	Solanaceae	Solanum tarijense	Ref.
Plantae	Solanaceae	Solanum tuberosum L.	Ref.
Plantae	Typhaceae	Typha angustata	Ref.
Plantae	Urticaceae	Boehmeria holosericea	Ref.
Plantae	Urticaceae	Boehmeria tricuspis	Ref.
Plantae	Urticaceae	Urtica dioica	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Centranthus longiflorus ssp. longiflorus	Ref.
Plantae	Zygophyllaceae	Tribulus terrestris	Ref.
-	-	Aganosma caryophyllata	Ref.
-	-	Echinop ritro	Ref.
-	-	First Ruta graveolens	Ref.
-	-	Hex aquifolium	Ref.
-	-	Macropidia fuliginosa	Ref.
-	-	Opunitia dillenii HAW.	Ref.
-	-	Scurrura atropurpurea	Ref.

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Organism

Glehnia littoralis

Reference

Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Ji, et al., Pharmacological Action and Application of Available Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1995).

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Yao, et al., APS, 28, (1993), 829.

Shi, et al., CCMM, 22, (1997), 743.

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

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Itoh, et al., JNP, 67, (2004), 427.

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Chen, et al., JNP, 64, (2001), 990.

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YUAN, et al., Chem Pharm Bull, 50, (2002), 73.

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KANCHANAPOOM, et al., Chem Pharm Bull, 53, (2005), 579.

FURUSAWA, et al., Chem Pharm Bull, 53, (2005), 591.

Ma, et al., JNP, 65, (2002), 206.

Yoshikawa, et al., JNP, 65, (2002), 1151.

Hou, et al., JNP, 66, (2003), 625.

Chang, et al., JNP, 68, (2005), 11.

Tang, et al., Phytochemistry, 58, (2001), 1251.

Heitzman, et al., Phytochemistry, 66, (2005), 5.

Ou, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Chang, et al., Dictionary of Chemistry, Science Press, Beijing, (2008).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)