input word = C00001996

Metabolite InformationStructural formula
Name Ceanothine B
Formula C29H36N4O4
Mw 504.27365567
CAS RN 19471-43-3
C_ID C00001996 ,
InChIKey IDZLSIWTJUALRQ-FGGVQVQVNA-N
InChICode InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26-/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O2)C(C)C)NC(=O)[C@H]1N(C)CCC1)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate L-Asp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeCeanothus americanus Ref.
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OrganismCeanothus americanus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter24