input word = C00054385

Metabolite InformationStructural formula
Name 9'',10''-Didehydroacidissiminin epoxide
Formula C43H63NO5
Mw 673.47062413
CAS RN 1203465-68-2
C_ID C00054385
InChIKey DSMUBNDRNPGPEI-XKUYMVQDSA-N
InChICode InChI=1S/C43H63NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(45)48-39(34-40-43(3,4)49-40)35(2)31-33-47-38-28-26-36(27-29-38)30-32-44-42(46)37-23-20-19-21-24-37/h12-13,19-21,23-24,26-29,31,39-40H,5-11,14-18,22,25,30,32-34H2,1-4H3,(H,44,46)/b13-12-,35-31+/t39-,40-/m1/s1
SMILES CC1(C)O[C@@H]1C[C@@H](OC(CCCCCCC/C=CCCCCCCCC)=O)/C(C)=C/COC2=CC=C(CCNC(C3=CC=CC=C3)=O)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeLimonia acidissima Ref.
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