input word = C00005616

Metabolite InformationStructural formula
Name Ombuoside
Formula C29H34O16
Mw 638.18468504
CAS RN 20188-85-6
C_ID C00005616 ,
InChIKey VVSFMIXQNYRGMG-UOPYFGFHNA-N
InChICode InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17-,19-,20-,22-,23+,24+,25-,28+,29-/m0/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(-c3ccc(OC)c(O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlyriella parryi Ref.
PlantaeCucurbitaceaeGynostemma yixingense Ref.
PlantaeErythroxylaceaeErythroxylum spp. Ref.
PlantaePhytolaccaceaePhytolacca dioica Ref.
--Gynostemon pentaphyllum Ref.
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OrganismGynostemma yixingense
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Marini-Bettolo,Gazz.Chim.Ital.,80,(1950),63

Horhammer,Chem.Ber.,101,(1968),1183