input word = C00000666

Metabolite InformationStructural formula
Name (+-)-Demethylgrossamide
Formula C35H34N2O8
Mw 610.23151608
CAS RN 170171-94-5
C_ID C00000666 ,
InChIKey YBUBLAJQIDHBCG-UJISWJIUNA-N
InChICode InChI=1S/C35H34N2O8/c1-44-30-19-23(6-13-31(42)36-16-14-21-2-8-25(38)9-3-21)18-27-32(35(43)37-17-15-22-4-10-26(39)11-5-22)33(45-34(27)30)24-7-12-28(40)29(41)20-24/h2-13,18-20,32-33,38-41H,14-17H2,1H3,(H,36,42)(H,37,43)/b13-6+/t32-,33-/m0/s1
SMILES c1(/C=C/C(=O)NCCc2ccc(cc2)O)cc(c2c(c1)[C@H](C(=O)NCCc1ccc(cc1)O)[C@@H](O2)c1ccc(c(c1)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia aethiopica Ref.
PlantaeCannabaceaeCannabis sativa Ref.
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