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 O=C1C=CC(C=C(CC(C(C)(C)OC2C(O)C(O)C(O)C(COC(/C=C/C3=CC=C(O)C=C3)=O)O2)O4)C4=C5O)=C5O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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OrganismApium graveolens
ReferenceSchneider, G. et al., Arch. Pharm. (Weinheim, Ger.), 1967, 300, 73

913 (isol, ir, uv, pmr, ms)