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Substance Name: Chloromonilicin
RN: 96287-38-6
UNII: 0ACV38IPBA
InChIKey: XEADRORPHLTLNQ-HNNXBMFYSA-N

Note

  • Isolated from Monilinia fructicola.

Molecular Weight

  • 350.7089
 
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Names and Synonyms

Name of Substance

  • Chloromonilicin

Synonym

  • UNII-0ACV38IPBA

Systematic Name

  • 1H-Oxepino(4,3-b)(1)benzopyran-1-carboxylic acid, 5-chloro-3,11-dihydro-10-hydroxy-8-methyl-3,11-dioxo-, methyl ester, (+)-

Registry Numbers

CAS Registry Number

  • 96287-38-6

FDA UNII

  • 0ACV38IPBA

System Generated Number

  • 0096287386

Structure Descriptors

InChI

1S/C16H11ClO7/c1-6-3-8(18)11-9(4-6)23-14-7(17)5-10(19)24-15(16(21)22-2)12(14)13(11)20/h3-5,15,18H,1-2H3/t15-/m0/s1

InChIKey

XEADRORPHLTLNQ-HNNXBMFYSA-N

Smiles

COC(=O)[C@H]1OC(=O)C=C(Cl)C2=C1C(=O)c3c(O)cc(C)cc3O2