input word = C00045565

Metabolite InformationStructural formula
Name 3-Oxoolean-12-en-29-oic acid
Katononic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 76094-29-6
C_ID C00045565 ,
InChIKey CGZZFWMLSVHLFZ-WCTMDDOZNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,26+,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)(CC[C@](C1)(C(=O)O)C)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum indicum Ref.
PlantaeMeliaceaeSandoricum koetjap Ref.
PlantaeMeliaceaeSandoricum koetjape Ref.
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OrganismSandoricum indicum
ReferenceTanaka,J.Nat.Prod.,64,(2001),1243