input word = C00005709

Metabolite InformationStructural formula
Name Haplogenin 3-rutinoside
Formula C28H32O17
Mw 640.1639496
CAS RN 79384-26-2
C_ID C00005709 ,
InChIKey SZBSCNAFTSOCMN-XCAZYXHQNA-N
InChICode InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-18(34)21(37)23(39)28(43-14)45-26-19(35)15-11(30)6-12(31)17(33)25(15)44-24(26)9-3-4-10(29)13(5-9)40-2/h3-6,8,14,16,18,20-23,27-34,36-39H,7H2,1-2H3/t8-,14-,16+,18+,20+,21-,22-,23-,27-,28+/m1/s1
SMILES c1(cc(c2c(c1O)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)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCoronilla valentina Ref.
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OrganismCoronilla valentina
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Harborne,Phytochem.,20,(1981),1117