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 CC(C)[C@@H]1Oc2ccc(cc2)/C=CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C
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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