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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12O4
Molecular Weight 232.232
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CONIOCHAETONE B

SMILES

CC1=CC2=C(C(O)=C1)C(=O)C3=C(CC[C@H]3O)O2

InChI

InChIKey=LHEGTEUTDBMPBL-SSDOTTSWSA-N
InChI=1S/C13H12O4/c1-6-4-8(15)12-10(5-6)17-9-3-2-7(14)11(9)13(12)16/h4-5,7,14-15H,2-3H2,1H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H12O4
Molecular Weight 232.232
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 Mon Mar 31 23:36:37 GMT 2025
Edited
by admin
on Mon Mar 31 23:36:37 GMT 2025
Record UNII
BL4O920FS6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONIOCHAETONE B
Common Name English
CYCLOPENTA(B)(1)BENZOPYRAN-9(1H)-ONE, 2,3-DIHYDRO-1,8-DIHYDROXY-6-METHYL-, (1R)-
Preferred Name English
CYCLOPENTA(B)(1)BENZOPYRAN-9(1H)-ONE, 2,3-DIHYDRO-1,8-DIHYDROXY-6-METHYL-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
BL4O920FS6
Created by admin on Mon Mar 31 23:36:37 GMT 2025 , Edited by admin on Mon Mar 31 23:36:37 GMT 2025
PRIMARY
PUBCHEM
10263320
Created by admin on Mon Mar 31 23:36:37 GMT 2025 , Edited by admin on Mon Mar 31 23:36:37 GMT 2025
PRIMARY
CAS
168434-89-7
Created by admin on Mon Mar 31 23:36:37 GMT 2025 , Edited by admin on Mon Mar 31 23:36:37 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY