input word = C00005547

Metabolite InformationStructural formula
Name Isorhamnetin 3-O-neohesperidoside
Isorhamnetin 3-neohesperidoside
Isorhamnetin-3-O-neohesperidoside
Formula C28H32O16
Mw 624.16903498
CAS RN 55033-90-4
C_ID C00005547 ,
InChIKey QHLKSZBFIJJREC-GHLOOZCJNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16-,18-,19-,21+,22-,23-,26+,27-,28-/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)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeCactaceaeOpuntia ficus-indica var.saboten Ref.
PlantaeCruciferaeNerisyrenia gracilis Ref.
PlantaeCruciferaeNerisyrenia linearifolia Ref.
PlantaePoaceaeZea mays Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTyphaceaeTypha angustata Ref.
PlantaeTyphaceaeTypha latifolia Ref.
PlantaeUrticaceaeParietaria officinalis Ref.
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OrganismTypha angustata
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

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).

YOSHIKAWA, et al., Chem Pharm Bull, 49, (2001), 863.

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