input word = C00000663

Metabolite InformationStructural formula
Name Cannabisin B
Formula C34H32N2O8
Mw 596.21586601
CAS RN 144506-17-2
C_ID C00000663 ,
InChIKey XENYXHLAFMZULS-GPHMJDBDNA-N
InChICode InChI=1S/C34H32N2O8/c37-23-6-1-19(2-7-23)11-13-35-33(43)26-15-22-17-29(41)30(42)18-25(22)31(21-5-10-27(39)28(40)16-21)32(26)34(44)36-14-12-20-3-8-24(38)9-4-20/h1-10,15-18,31-32,37-42H,11-14H2,(H,35,43)(H,36,44)/t31-,32-/m0/s1
SMILES c1c(CCNC(=O)C2=Cc3cc(c(cc3[C@@H]([C@H]2C(=O)NCCc2ccc(cc2)O)c2ccc(c(c2)O)O)O)O)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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