input word = C00028632

Metabolite InformationStructural formula
Name N,N-Didemethylculantraramine
Formula C30H42N2O2
Mw 462.3246286
CAS RN 129743-94-8
C_ID C00028632 ,
InChIKey WNNFFTZIDCFIRU-CAOHODCBNA-N
InChICode InChI=1S/C30H42N2O2/c1-20(2)30-26(24-18-22(12-14-31-4)8-10-28(24)33-6)16-21(3)17-27(30)25-19-23(13-15-32-5)9-11-29(25)34-7/h8-11,16,18-19,26-27,30-32H,1,12-15,17H2,2-7H3/t26-,27-,30+/m0/s1
SMILES [C@H]1(C=C(C[C@H]([C@@H]1C(=C)C)c1c(ccc(c1)CCNC)OC)C)c1cc(ccc1OC)CCNC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum coriaceum Ref.
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