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.
zoom in



OrganismClaviceps purpurea
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)