input word = C00001997

Metabolite InformationStructural formula
Name Crenatine A
Formula C34H40N4O4
Mw 568.30495579
CAS RN 52801-20-4
C_ID C00001997 ,
InChIKey NAMLDTWANUOXLT-ZBSBLIAFNA-N
InChICode InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)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 CC(C)C[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=Cc2ccc(cc2)O[C@@H]1c1ccccc1)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeDiscaria crenata Ref.
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