U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H11ClO7
Molecular Weight 350.707
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROMONILICIN

SMILES

COC(=O)[C@H]1OC(=O)C=C(Cl)C2=C1C(=O)C3=C(O2)C=C(C)C=C3O

InChI

InChIKey=XEADRORPHLTLNQ-HNNXBMFYSA-N
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

HIDE SMILES / InChI

Molecular Formula C16H11ClO7
Molecular Weight 350.707
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:44:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:19 GMT 2023
Record UNII
0ACV38IPBA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROMONILICIN
Common Name English
CHLOROMONILICIN, (+)-
Common Name English
1H-OXEPINO(4,3-B)(1)BENZOPYRAN-1-CARBOXYLIC ACID, 5-CHLORO-3,11-DIHYDRO-10-HYDROXY-8-METHYL-3,11-DIOXO-, METHYL ESTER, (1S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80914590
Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023
PRIMARY
CAS
96287-38-6
Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023
PRIMARY
CHEBI
70291
Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023
PRIMARY
FDA UNII
0ACV38IPBA
Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023
PRIMARY
PUBCHEM
121225493
Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023
PRIMARY