input word = C00038013

Metabolite InformationStructural formula
Name Wilforic acid B
Formula C29H44O4
Mw 456.32395989
CAS RN 193684-75-2
C_ID C00038013 ,
InChIKey IBFPFYPZOPHYKC-CRISTHQXNA-N
InChICode InChI=1S/C29H44O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h19-22,30H,7-16H2,1-6H3,(H,32,33)/t19-,20+,21+,22-,25-,26-,27+,28-,29+/m1/s1
SMILES [C@H]1(C(=O)C(=C2[C@@H](C1)[C@]1([C@H](CC2)[C@@]2([C@](CC1)(C)[C@H]1[C@@](CC2)(CC[C@@](C1)(C)C(=O)O)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Hook f. Ref.
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