input word = C00011213

Metabolite InformationStructural formula
Name Chanoclavine-II
Formula C16H20N2O
Mw 256.15756328
CAS RN 1466-08-6
C_ID C00011213 ,
InChIKey SAHHMCVYMGARBT-YPGWVVKQNA-N
InChICode InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15+/m0/s1
SMILES c1c2c3c(cc1)[C@@H]([C@@H](Cc3c[nH]2)NC)/C=C(/CO)\C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps purpurea Ref.
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