input word = C00055247

Metabolite InformationStructural formula
Name Apiumoside
Formula C29H30O12
Mw 570.17372642
CAS RN 73485-93-5
C_ID C00055247
InChIKey PUPQENMYBCRTJC-WEVVVXLNSA-N
InChICode InChI=1S/C29H30O12/c1-29(2,19-12-16-11-15-6-10-21(32)40-26(15)25(36)27(16)39-19)41-28-24(35)23(34)22(33)18(38-28)13-37-20(31)9-5-14-3-7-17(30)8-4-14/h3-11,18-19,22-24,28,30,33-36H,12-13H2,1-2H3/b9-5+
SMILES CC(C)(OC1OC(COC(=O)/C=C/c2ccc(O)cc2)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3c(O)c2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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