input word = C00039789

Metabolite InformationStructural formula
Name Monocillin III
(-)-Monocillin III
Formula C18H20O6
Mw 332.12598837
CAS RN 75207-11-3
C_ID C00039789 ,
InChIKey XFALPAMSDFFXGY-NVRMRQEENA-N
InChICode InChI=1S/C18H20O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h2,4,8-10,15-16,20-21H,3,5-7H2,1H3/b4-2+/t10-,15-,16-/m1/s1
SMILES c1c(cc2c(c1O)C(=O)O[C@@H](C[C@@H]1[C@@H](CC/C=C/C(=O)C2)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaePochonia chlamydosporia var.catenulata strain P0297 Ref.
FungiMontagnulaceaeParaphaeosphaeria quadriseptata Ref.
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