input word = C00057510

Metabolite InformationStructural formula
Name Petasinoside
Formula C28H37NO9
Mw 531.24683179
CAS RN 70474-34-9
C_ID C00057510
InChIKey JGNHECWVLJXCSV-VCKSHETLSA-N
InChICode InChI=1S/C28H37NO9/c1-4-16(2)27(34)38-22-14-29-13-5-6-21(29)20(22)15-35-23(30)12-9-18-7-10-19(11-8-18)37-28-26(33)25(32)24(31)17(3)36-28/h4,7-12,17,20-22,24-26,28,31-33H,5-6,13-15H2,1-3H3/b12-9+,16-4+
SMILES C/C=C(C)C(=O)OC1CN2CCCC2C1COC(=O)/C=C/c1ccc(OC2OC(C)C(O)C(O)C2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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