input word = C00057261

Metabolite InformationStructural formula
Name Polygalacic acid
Formula C30H48O6
Mw 504.34508927
CAS RN 22338-71-2
C_ID C00057261
InChIKey KGGGRGBDMBZXKF-PWFIOIGMSA-N
InChICode InChI=1S/C30H48O6/c1-25(2)11-12-30(24(35)36)18(13-25)17-7-8-21-26(3)14-19(32)23(34)27(4,16-31)20(26)9-10-28(21,5)29(17,6)15-22(30)33/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21+,22+,23-,26-,27-,28+,29+,30+/m0/s1
SMILES CC1(CC[C@@]([C@H](O)C[C@]23C)(C(O)=O)[C@@](C2=CC[C@]4([H])[C@@](C[C@H](O)[C@H](O)[C@]5(CO)C)([C@@]5([H])CC[C@]43C)C)([H])C1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virgaurea Ref.
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