input word = C00050954

Metabolite InformationStructural formula
Name Isomangiferolic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 13878-92-7
C_ID C00050954
InChIKey CYHOTEDWAOHQLA-NZONCDKQNA-N
InChICode InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
SMILES C/C(=CCC[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(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeBoraginaceaeCynoglossum zeylanica Ref.
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