input word = C00000669

Metabolite InformationStructural formula
Name Cannabisin F
Formula C36H36N2O8
Mw 624.24716614
CAS RN 163136-19-4
C_ID C00000669 ,
InChIKey JCUQMHMUDDMCSX-AADBSILNSA-N
InChICode InChI=1S/C36H36N2O8/c1-44-32-22-27(7-14-30(32)41)23-34(36(43)38-20-18-25-5-12-29(40)13-6-25)46-31-15-8-26(21-33(31)45-2)9-16-35(42)37-19-17-24-3-10-28(39)11-4-24/h3-16,21-23,39-41H,17-20H2,1-2H3,(H,37,42)(H,38,43)/b16-9+,34-23-
SMILES c1c(CCNC(=O)/C(=C/c2cc(c(cc2)O)OC)/Oc2c(cc(/C=C/C(=O)NCCc3ccc(cc3)O)cc2)OC)ccc(c1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeCannabis sativa Ref.
PlantaeSolanaceaeDatura metel Ref.
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