input word = C00044938

Metabolite InformationStructural formula
Name Monocillin II
Formula C18H20O5
Mw 316.13107375
CAS RN 75207-15-7
C_ID C00044938 ,
InChIKey AGKSYPMAQRUJJY-CUKJDEOPNA-N
InChICode InChI=1S/C18H20O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3-,8-6+/t12-/m0/s1
SMILES C\1=C\C[C@@H](OC(=O)c2c(CC(=O)/C=C/CC1)cc(cc2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaePochonia chlamydosporia var.catenulata strain P0297 Ref.
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