input word = C00011216

Metabolite InformationStructural formula
Name Isosetoclavin
Isosetoclavine
Formula C16H18N2O
Mw 254.14191321
CAS RN 519-11-9
C_ID C00011216 ,
InChIKey BGVUWLLRNRBDAY-AQPSWHTGNA-N
InChICode InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16+/m1/s1
SMILES c1c2c3c(cc1)C1=C[C@@](CN([C@@H]1Cc3c[nH]2)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps purpurea Ref.
PlantaePoaceaePennisetum typhoideum Ref.
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