input word = C00050951

Metabolite InformationStructural formula
Name Isolysergic acid
D-Isolysergic acid
Formula C16H16N2O2
Mw 268.12117777
CAS RN 478-95-5
C_ID C00050951
InChIKey ZAGRKAFMISFKIO-MOVNSBPVNA-N
InChICode InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14+/m0/s1
SMILES CN1C[C@@H](C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps paspali Ref.
FungiClavicipitaceaeClaviceps purpurea Ref.
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