input word = C00006270

Metabolite InformationStructural formula
Name Isocytisoside 7-O-glucoside
Formula C28H32O15
Mw 608.17412036
CAS RN 61252-87-7
C_ID C00006270 ,
InChIKey QRQNIQMEGHMTGW-CCRNMEBXNA-N
InChICode InChI=1S/C28H32O15/c1-39-11-4-2-10(3-5-11)13-6-12(31)18-14(40-13)7-15(42-28-26(38)24(36)21(33)17(9-30)43-28)19(22(18)34)27-25(37)23(35)20(32)16(8-29)41-27/h2-7,16-17,20-21,23-30,32-38H,8-9H2,1H3/t16-,17+,20+,21+,23-,24-,25+,26+,27-,28+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana pyrenaica Ref.
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OrganismGentiana pyrenaica
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 549,C-glycosylflavones

Marston,Helv.Chim.Acta,59,(1976),2596