input word = C00057477

Metabolite InformationStructural formula
Name 3-Oxo-14-taraxeren-29-oic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 623941-78-6
C_ID C00057477
InChIKey DYZLVARYBQRDCC-HPYPRGRRSA-N
InChICode InChI=1S/C30H46O3/c1-25(2)19-9-13-29(6)20-8-12-26(3)16-17-27(4,24(32)33)18-22(26)30(20,7)14-10-21(29)28(19,5)15-11-23(25)31/h8,19,21-22H,9-18H2,1-7H3,(H,32,33)/t19-,21+,22+,26-,27+,28-,29-,30+/m0/s1
SMILES C[C@]12C3=CC[C@]4(C)[C@](C[C@@](C(O)=O)(C)CC4)([H])[C@]3(C)CC[C@]1([H])[C@]5(C)[C@@](C(C)(C)C(CC5)=O)([H])CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeManihot esculenta Ref.
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OrganismManihot esculenta
ReferenceHui, W.-H. et al., JCS Perkin 1, 1976, 23