input word = C00000664

Metabolite InformationStructural formula
Name Cannabisin D
Formula C36H36N2O8
Mw 624.24716614
CAS RN 144506-19-4
C_ID C00000664 ,
InChIKey XYTYRVFKBJENPE-ZAWQLKNBNA-N
InChICode InChI=1S/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m0/s1
SMILES c1c(CCNC(=O)C2=Cc3cc(c(cc3[C@@H]([C@H]2C(=O)NCCc2ccc(cc2)O)c2ccc(c(c2)OC)O)O)OC)ccc(c1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia aethiopica Ref.
PlantaeCannabaceaeCannabis sativa Ref.
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