input word = C00039788

Metabolite InformationStructural formula
Name Monocillin I
(+)-Monocillin I
Formula C18H18O6
Mw 330.11033831
CAS RN 75207-13-5
C_ID C00039788 ,
InChIKey XTUZVEOWUSGCSV-ZQZHRTTBNA-N
InChICode InChI=1S/C18H18O6/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/h2-5,8-10,15-16,20-21H,6-7H2,1H3/b4-2+,5-3-/t10-,15-,16-/m1/s1
SMILES c1c(cc2c(c1O)C(=O)O[C@@H](C[C@@H]1[C@@H](/C=C\C=C\C(=O)C2)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMontagnulaceaeParaphaeosphaeria quadriseptata Ref.
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OrganismParaphaeosphaeria quadriseptata
ReferenceParanagama,J.Nat.Prod.,70,(2007),1939