input word = C00054386

Metabolite InformationStructural formula
Name 9'',10''-Didehydrodihydroxyacidissiminin
Formula C43H65NO6
Mw 691.48118881
CAS RN 1203465-67-1
C_ID C00054386
InChIKey LXQSGCMGCWPNEY-XKUYMVQDSA-N
InChICode InChI=1S/C43H65NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(46)50-39(34-40(45)43(3,4)48)35(2)31-33-49-38-28-26-36(27-29-38)30-32-44-42(47)37-23-20-19-21-24-37/h12-13,19-21,23-24,26-29,31,39-40,45,48H,5-11,14-18,22,25,30,32-34H2,1-4H3,(H,44,47)/b13-12-,35-31+/t39-,40-/m1/s1
SMILES OC(C)(C)[C@H](O)C[C@@H](OC(CCCCCCC/C=CCCCCCCCC)=O)/C(C)=C/COC1=CC=C(CCNC(C2=CC=CC=C2)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeLimonia acidissima Ref.
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OrganismLimonia acidissima
ReferenceDreyer, D.L. et al., Tetrahedron, 1967, 23, 4613-4622

1970, 26, 5745-5751

1980, 36, 827-829 (Severine, Severine palmitate, N-Benzoyl-4-(4-acetoxyneryloxy)phenethylamine)