input word = C00011249

Metabolite InformationStructural formula
Name Roquefortine B
Isofumigaclavine B
Formula C16H20N2O
Mw 256.15756328
CAS RN 58800-20-7
C_ID C00011249 ,
InChIKey JUXRVSRUBIFVKE-VTJJXGFWNA-N
InChICode InChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/t9-,13-,15-,16+/m1/s1
SMILES c1c2c3c(cc1)[C@@H]1[C@@H](Cc3c[nH]2)N(C[C@H]([C@@H]1O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium roquefortii Ref.
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