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Details

Stereochemistry RACEMIC
Molecular Formula C21H16O9
Molecular Weight 412.3463
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MITORUBRINIC ACID, (±)-

SMILES

CC1=C(C(=O)OC2(C)C(=O)C=C3C=C(OC=C3C2=O)\C=C\C(O)=O)C(O)=CC(O)=C1

InChI

InChIKey=ZJIWQCFXEQSFGR-ONEGZZNKSA-N
InChI=1S/C21H16O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-9,22-23H,1-2H3,(H,25,26)/b4-3+

HIDE SMILES / InChI

Molecular Formula C21H16O9
Molecular Weight 412.3463
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:31:10 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:10 GMT 2025
Record UNII
RG5P6FYE53
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-MITORUBRINIC ACID
Preferred Name English
MITORUBRINIC ACID, (±)-
Common Name English
BENZOIC ACID, 2,4-DIHYDROXY-6-METHYL-, 3-((1E)-2-CARBOXYETHENYL)-7,8-DIHYDRO-7-METHYL-6,8-DIOXO-6H-2-BENZOPYRAN-7-YL ESTER
Systematic Name English
Code System Code Type Description
CAS
908291-85-0
Created by admin on Tue Apr 01 19:31:10 GMT 2025 , Edited by admin on Tue Apr 01 19:31:10 GMT 2025
PRIMARY
PUBCHEM
5802867
Created by admin on Tue Apr 01 19:31:10 GMT 2025 , Edited by admin on Tue Apr 01 19:31:10 GMT 2025
PRIMARY
FDA UNII
RG5P6FYE53
Created by admin on Tue Apr 01 19:31:10 GMT 2025 , Edited by admin on Tue Apr 01 19:31:10 GMT 2025
PRIMARY