input word = C00038236

Metabolite InformationStructural formula
Name 3,11-Dioxoolean-12-en-28-oic acid
Formula C30H44O4
Mw 468.32395989
CAS RN 94492-08-7
C_ID C00038236 ,
InChIKey VDDPQVQCXWFZJM-PHTHKAPYNA-N
InChICode InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,27-,28+,29+,30-/m0/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeEkebergia capensis Ref.
--Liquidamber styraciflua Ref.
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OrganismLiquidamber styraciflua
ReferenceSakai,J.Nat.Prod.,67,(2004),1088