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 c1(cc(c2c(c1)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)O)OC)O)OC
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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