input word = C00060435

Metabolite InformationStructural formula
Name (+)-Stephaoxocanine (S)-MPTA ester
Formula C28H28F3NO6
Mw 531.18687223
CAS RN 179605-67-5
C_ID C00060435
InChIKey JIADMEUTUWCYLT-YDLGPDHBSA-N
InChICode InChI=1S/C28H28F3NO6/c1-34-21-15-16-13-14-32-24-20-12-10-18(9-11-19(38-20)23(22(16)24)25(21)35-2)37-26(33)27(36-3,28(29,30)31)17-7-5-4-6-8-17/h4-8,11,15,18,20H,9-10,12-14H2,1-3H3/t18-,20+,27-/m0/s1
SMILES COc1cc2c3c(c1OC)C1=CCC(OC(=O)C(OC)(c4ccccc4)C(F)(F)F)CCC(O1)C3=NCC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania cepharantha Ref.
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