input word = C00032378

Metabolite InformationStructural formula
Name Treleasegenic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 511-79-5
C_ID C00032378 ,
InChIKey QXFJACMLXSJEMH-COGFDZSXNA-N
InChICode InChI=1S/C30H48O5/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)32)8-7-18-19-15-26(3,17-31)23(33)16-30(19,24(34)35)14-13-28(18,29)5/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22-,23-,26-,27-,28+,29+,30+/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)[C@@H](O)C[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus eruca Ref.
--Machaerocereus eruca Ref.
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