input word = C00054335

Metabolite InformationStructural formula
Name Ambolic acid
Formula C31H50O3
Mw 470.37599546
CAS RN 13878-93-8
C_ID C00054335
InChIKey FCQSIIVNJCMJLB-KAETVPQKSA-N
InChICode InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)/t20-,21?,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1
SMILES C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
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