input word = C00001995

Metabolite InformationStructural formula
Name Canthiumine
Formula C33H36N4O4
Mw 552.27365567
CAS RN 26195-90-4
C_ID C00001995 ,
InChIKey DTRFQNPOYWLHOU-BKSXPBRMNA-N
InChICode InChI=1S/C33H36N4O4/c1-36(2)28(22-24-10-5-3-6-11-24)32(39)35-29-30(25-12-7-4-8-13-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27-14-9-21-37(27)33(29)40/h3-8,10-13,15-20,27-30H,9,14,21-22H2,1-2H3,(H,34,38)(H,35,39)/b20-19-/t27-,28-,29-,30+/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@H]1N(C(=O)[C@H]([C@H](O2)c2ccccc2)NC(=O)[C@@H](N(C)C)Cc2ccccc2)CCC1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCanthium euryoides Ref.
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