input word = C00029495

Metabolite InformationStructural formula
Name 3-Epipomolic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 119067-01-5
C_ID C00029495 ,
InChIKey ZZTYPLSBNNGEIS-DQDVRTCNNA-N
InChICode InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCordia multispicata Ref.
PlantaeGesneriaceaeConandron ramondioides Sieb.et Zucc. Ref.
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