input word = C00055255

Metabolite InformationStructural formula
Name Ceanothine E
Formula C34H40N4O4
Mw 568.30495579
CAS RN 23926-98-9
C_ID C00055255
InChIKey KCFAADIKGBVBFW-GQIVPORTSA-N
InChICode InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30-,31+/m0/s1
SMILES O=C([C@H](CC1=CC=CC=C1)N(C)C)N[C@@H]([C@](C2=CC=CC=C2)([H])OC3=CC=C(/C=CNC([C@H](CC(C)C)N4)=O)C=C3)C4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeCeanothus americanus Ref.
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