input word = C00038016

Metabolite InformationStructural formula
Name Wilforic acid E
(-)-Wilforic acid E
Formula C30H46O5
Mw 486.33452458
CAS RN 273198-91-7
C_ID C00038016 ,
InChIKey IDWSINSLFUFGJH-FBFXAGRSNA-N
InChICode InChI=1S/C30H46O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-21,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,24-,25-,26-,27-,28+,29?,30-/m1/s1
SMILES C1[C@@]23CC[C@@H]4[C@]5(CC[C@]6(CC[C@@](C[C@H]6[C@@]5(CC[C@@]4(C)[C@@H]2CC(=O)[C@@]([C@@H]3C)(O1)O)C)(C)C(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Hook f. Ref.
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OrganismTripterygium wilfordii Hook f.
ReferenceDuan,Phytochem.,53,(2000),805