input word = C00029494

Metabolite InformationStructural formula
Name 3-Epioleanolic acid
epi-Oleanolic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 25499-90-5
C_ID C00029494 ,
InChIKey MIJYXULNPSFWEK-XBSYWBQYNA-N
InChICode InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/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)(CCC(C1)(C)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.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeMeliaceaeEkebergia capensis Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
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