input word = C00011247

Metabolite InformationStructural formula
Name Roquefortine A
Isofumigaclavine A
Formula C18H22N2O2
Mw 298.16812796
CAS RN 58800-19-4
C_ID C00011247 ,
InChIKey GJSSYQDXZLZOLR-BBCSJWQSNA-N
InChICode InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18-/m1/s1
SMILES c1c2c3c(cc1)[C@@H]1[C@@H](Cc3c[nH]2)N(C[C@H]([C@H]1OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium roquefortii Ref.
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