input word = C00000667

Metabolite InformationStructural formula
Name Cannabisin A
Formula C34H30N2O8
Mw 594.20021595
CAS RN 130508-46-2
C_ID C00000667 ,
InChIKey CLNINZAIEQRASP-UHFFFAOYSA-N
InChICode InChI=1S/C34H30N2O8/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/h1-10,15-18,37-42H,11-14H2,(H,35,43)(H,36,44)
SMILES O=C(NCCc1ccc(O)cc1)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)NCCc1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeCannabis sativa Ref.
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