input word = C00004518

Metabolite InformationStructural formula
Name Hypolaetin 7-sophoroside
8-Hydroxyluteolin 7-sophoroside
7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4H-1-benzopyran-4-one
Formula C27H30O17
Mw 626.14829954
CAS RN 151363-22-3
C_ID C00004518 ,
InChIKey QOOQAJMNSMUNFZ-CSNGUHFLNA-N
InChICode InChI=1S/C27H30O17/c28-6-15-18(34)21(37)23(39)26(42-15)44-25-22(38)19(35)16(7-29)43-27(25)41-14-5-12(33)17-11(32)4-13(40-24(17)20(14)36)8-1-2-9(30)10(31)3-8/h1-5,15-16,18-19,21-23,25-31,33-39H,6-7H2/t15-,16-,18-,19-,21+,22+,23+,25-,26+,27-/m1/s1
SMILES c1(cc(c2c(c1O)oc(cc2=O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H](O)[C@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeGratiola officinalis Ref.
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OrganismGratiola officinalis
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Grayer-Barkmeijer,Phytochem.,34,(1993),205