input word = C00057462

Metabolite InformationStructural formula
Name 3-Oxotirucalla-8,24-dien-26-oic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 5956-26-3
C_ID C00057462
InChIKey KDCSSVADTHDYGI-JAYDNVTISA-N
InChICode InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,24-,28+,29-,30+/m0/s1
SMILES C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeSchinus molle Ref.
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