input word = C00029513

Metabolite InformationStructural formula
Name 3-Oxoolean-12-en-27-oic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 86747-46-8
C_ID C00029513 ,
InChIKey DQHMTWAVBRLUSK-QMVCTLLZNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27+,28-,29+,30+/m0/s1
SMILES C1C(=O)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)C(=O)O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
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