input word = C00037661

Metabolite InformationStructural formula
Name Polpunonic acid
Maytenoic acid
Polpunoic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 33600-93-0
C_ID C00037661 ,
InChIKey WHWHDGKOSUKYOV-QHWZVUHUNA-N
InChICode InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,25+,26+,27+,28-,29+,30-/m0/s1
SMILES C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia prinoides Ref.
PlantaeCelastraceaeTripterygium doianum Ref.
PlantaeCelastraceaeTripterygium regelii Ref.
PlantaeCelastraceaeTripterygium wilfordii Hook f. Ref.
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OrganismSalacia prinoides
ReferenceKISHI, et al., Chem Pharm Bull, 51, (2003), 1051