KNApSAcK Metabolite Information

input word = C00029633

Metabolite Information

Structural formula

Name

Ursolic acid
Acetylursolic acid

Formula

C30H48O3

456.3603454

CAS RN

7372-30-7

C_ID

C00029633 ,

InChIKey

PHFUCJXOLZAQNH-GTFLZTGMNA-N

InChICode

InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1

SMILES

C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O)C)C)C)(C)C)OC(=O)C

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	Adoxaceae	Viburnum lantana L.	Ref.
Plantae	Apiaceae	Heracleum granatense	Ref.
Plantae	Apocynaceae	Nerium oleander	Ref.
Plantae	Apocynaceae	Plumeria obtusa	Ref.
Plantae	Aquifoliaceae	Ilex asprella	Ref.
Plantae	Aquifoliaceae	Ilex cornuta	Ref.
Plantae	Aquifoliaceae	Ilex pubescens	Ref.
Plantae	Araliaceae	Acanthopanax senticosus	Ref.
Plantae	Araliaceae	Acanthopanax sessiliflorus	Ref.
Plantae	Araliaceae	Cussonia bancoensis	Ref.
Plantae	Asteraceae	Achyrocline bogotensis (HBK.) DC.	Ref.
Plantae	Asteraceae	Ligularia sagitta	Ref.
Plantae	Calophyllaceae/Clusiaceae/Clusiaceae-Guttiferae	Calophyllum polyanthum	Ref.
Plantae	Cecropiaceae	Myrianthus arboreus	Ref.
Plantae	Celastraceae	Microtropis japonica	Ref.
Plantae	Convallariaceae	Liriope muscari	Ref.
Plantae	Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae	Cornus kousa	Ref.
Plantae	Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae	Cornus officinalis	Ref.
Plantae	Cruciferae	Isatis tinctoria	Ref.
Plantae	Cynomoriaceae	Cynomorium songaricum	Ref.
Plantae	Dipterocarpaceae	Vatica cinerea	Ref.
Plantae	Ebenaceae	Diospyros castanea	Ref.
Plantae	Ebenaceae	Diospyros cauliflora	Ref.
Plantae	Ebenaceae	Diospyros curranii	Ref.
Plantae	Ebenaceae	Diospyros ebenum	Ref.
Plantae	Ebenaceae	Diospyros evena	Ref.
Plantae	Ebenaceae	Diospyros ferrea	Ref.
Plantae	Ebenaceae	Diospyros hirsuta	Ref.
Plantae	Ebenaceae	Diospyros kaki	Ref.
Plantae	Ebenaceae	Diospyros leucomelas	Ref.
Plantae	Ebenaceae	Diospyros lotus	Ref.
Plantae	Ebenaceae	Diospyros malanonilau	Ref.
Plantae	Ebenaceae	Diospyros melanoxylon	Ref.
Plantae	Ebenaceae	Diospyros montana	Ref.
Plantae	Ebenaceae	Diospyros morrisiana	Ref.
Plantae	Ebenaceae	Diospyros quaesita	Ref.
Plantae	Ebenaceae	Diospyros tomentosa	Ref.
Plantae	Ericaceae	Arbutus andrachne L.	Ref.
Plantae	Ericaceae	Enkianthus cernuus	Ref.
Plantae	Ericaceae	Epigaea asiatica	Ref.
Plantae	Ericaceae	Leucothoe grayana Max.	Ref.
Plantae	Ericaceae	Pieris japonica D.Don.	Ref.
Plantae	Ericaceae	Pyrola incarnata	Ref.
Plantae	Ericaceae	Pyrola japonica	Ref.
Plantae	Ericaceae	Pyrola rugosa	Ref.
Plantae	Ericaceae	Rhododendron hymenanthus	Ref.
Plantae	Eucommiaceae	Eucommia ulmoides	Ref.
Plantae	Euphorbiaceae	Euphorbia paralias	Ref.
Plantae	Fabaceae	Indigofera tetrantha	Ref.
Plantae	Gentianaceae	Gentianopsis paludosa	Ref.
Plantae	Hydrangeaceae	Hydrangea heteromalla	Ref.
Plantae	Icacinaceae	Gonocaryum calleryanum	Ref.
Plantae	Juglandaceae	Platycarya strobilacea	Ref.
Plantae	Labiatae	Callicarpa arborea	Ref.
Plantae	Labiatae	Callicarpa formosana	Ref.
Plantae	Labiatae	Callicarpa macrophylla	Ref.
Plantae	Labiatae	Dracocephalum kotschyi	Ref.
Plantae	Labiatae	Glechoma lungituba	Ref.
Plantae	Labiatae	Hyptis brevipes	Ref.
Plantae	Labiatae	Isodon oresbia	Ref.
Plantae	Labiatae	Isodon ternifolius	Ref.
Plantae	Labiatae	Lavandula canariensis	Ref.
Plantae	Labiatae	Lavandula gibsonii	Ref.
Plantae	Labiatae	Meriandra benghalensis	Ref.
Plantae	Labiatae	Ocimum basilicum	Ref.
Plantae	Labiatae	Prostanthera melissifolia	Ref.
Plantae	Labiatae	Prunella vulgaris	Ref.
Plantae	Labiatae	Salvia breviflora	Ref.
Plantae	Labiatae	Salvia canariensis L.	Ref.
Plantae	Labiatae	Salvia chinopeplica	Ref.
Plantae	Labiatae	Salvia miltiorrhiza	Ref.
Plantae	Labiatae	Salvia nicolsoniana	Ref.
Plantae	Labiatae	Salvia officinalis	Ref.
Plantae	Labiatae	Satureja acinos	Ref.
Plantae	Labiatae	Satureja calamintha	Ref.
Plantae	Labiatae	Sideritis candicans var.eriocephala	Ref.
Plantae	Labiatae	Sideritis discolor	Ref.
Plantae	Labiatae	Sideritis soluta	Ref.
Plantae	Lamiaceae	Rabdosia rubescens	Ref.
Plantae	Longaniaceae	Strychnos vanprukii Craib.	Ref.
Plantae	Lythraceae	Punica granatum	Ref.
Plantae	Malpighiaceae	Acridocarpus vivy	Ref.
Plantae	Melastomataceae	Monochaetum vulcanicum	Ref.
Plantae	Moraceae	Ficus microcarpa	Ref.
Plantae	Moraceae	Morus australis	Ref.
Plantae	Myricaceae	Myrica rubra	Ref.
Plantae	Myrtaceae	Eucalyptus citriodora	Ref.
Plantae	Myrtaceae	Eucalyptus tereticornis	Ref.
Plantae	Myrtaceae	Leptospermum scoparium	Ref.
Plantae	Myrtaceae	Melaleuca ericifolia	Ref.
Plantae	Myrtaceae	Melaleuca leucadendron	Ref.
Plantae	Myrtaceae	Syzygium buxifolium	Ref.
Plantae	Myrtaceae	Syzygium formosanum	Ref.
Plantae	Oleaceae	Forsythia suspensa	Ref.
Plantae	Oleaceae	Ligustrum lucidum	Ref.
Plantae	Oleaceae	Phillyrea latifolia L.	Ref.
Plantae	Onagraceae	Ludwigia octovalvis	Ref.
Plantae	Paulowniaceae	Paulownia tomentosa	Ref.
Plantae	Pinaceae	Pinus roxburghii	Ref.
Plantae	Plantaginaceae	Plantago asiatica	Ref.
Plantae	Plantaginaceae	Plantago depressa	Ref.
Plantae	Plantaginaceae	Plantago major	Ref.
Plantae	Polygonaceae	Coccoloba excoriata	Ref.
Plantae	Rhamnaceae	Ziziphus jujuba	Ref.
Plantae	Rhamnaceae	Ziziphus jujuba var.spinosa	Ref.
Plantae	Rosaceae	Chaenomeles sinensis	Ref.
Plantae	Rosaceae	Crataegus cuneata	Ref.
Plantae	Rosaceae	Crataegus hupehensis	Ref.
Plantae	Rosaceae	Crataegus pinnatifida	Ref.
Plantae	Rosaceae	Crataegus pinnatifida var.major	Ref.
Plantae	Rosaceae	Eriobotrya japonica	Ref.
Plantae	Rosaceae	Photinia serrulata	Ref.
Plantae	Rosaceae	Potentilla chinensis	Ref.
Plantae	Rosaceae	Prunus serotina	Ref.
Plantae	Rosaceae	Rubus ellipticus	Ref.
Plantae	Rubiaceae	Coussarea paniculata	Ref.
Plantae	Rubiaceae	Gardenia jasminoides	Ref.
Plantae	Rubiaceae	Hedyotis dichotoma	Ref.
Plantae	Rubiaceae	Hedyotis herbacea	Ref.
Plantae	Rubiaceae	Lasianthus gardneri	Ref.
Plantae	Rubiaceae	Morinda tinctoria var.tomentosa.	Ref.
Plantae	Rubiaceae	Oldenlandia diffusa	Ref.
Plantae	Rubiaceae	Ophiorrhiza liukiuensis	Ref.
Plantae	Rubiaceae	Rubia wallichiana	Ref.
Plantae	Rubiaceae	Uncaria tomentosa	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Valeriana laxiflora	Ref.
Plantae	Verbenaceae	Verbena littoralis	Ref.
Plantae	Verbenaceae	Verbena officinalis	Ref.
-	-	Aganosma caryophyllata	Ref.
-	-	Clerodendranthus spicatus	Ref.
-	-	Hex aquifolium	Ref.

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