input word = C00005615

Metabolite InformationStructural formula
Name Ombuin 3-neohesperidoside
Formula C29H34O16
Mw 638.18468504
CAS RN 73427-23-3
C_ID C00005615 ,
InChIKey ZCAWIAMHFVOPCS-ANZGOYOTNA-N
InChICode InChI=1S/C29H34O16/c1-10-19(33)22(36)24(38)28(41-10)45-27-23(37)20(34)17(9-30)43-29(27)44-26-21(35)18-14(32)7-12(39-2)8-16(18)42-25(26)11-4-5-15(40-3)13(31)6-11/h4-8,10,17,19-20,22-24,27-34,36-38H,9H2,1-3H3/t10-,17+,19-,20-,22+,23+,24-,27+,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)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)O)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSenna septemtrionalis Ref.
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