input word = C00029496

Metabolite InformationStructural formula
Name 3-Epiursolic acid
Morinoursolic acid A
Formula C30H48O3
Mw 456.3603454
CAS RN 989-30-0
C_ID C00029496 ,
InChIKey WCGUUGGRBIKTOS-PNDZTBPMNA-N
InChICode InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1
SMILES C1[C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGesneriaceaeConandron ramondioides Sieb.et Zucc. Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
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