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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H16O9
Molecular Weight 412.3463
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

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

SMILES

CC1=C(C(=O)O[C@]2(C)C(=O)C=C3C=C(OC=C3C2=O)\C=C\C(O)=O)C(O)=CC(O)=C1

InChI

InChIKey=ZJIWQCFXEQSFGR-YEFOHOTDSA-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+/t21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MITORUBRINIC ACID, (R)-
Common Name English
(-)-MITORUBRINIC ACID
Common Name English
BENZOIC ACID, 2,4-DIHYDROXY-6-METHYL-, 3-(2-CARBOXYETHENYL)-7,8-DIHYDRO-7-METHYL-6,8-DIOXO-6H-2-BENZOPYRAN-7-YL ESTER, (R-(E))-
Systematic Name English
BENZOIC ACID, 2,4-DIHYDROXY-6-METHYL-, (7R)-3-((1E)-2-CARBOXYETHENYL)-7,8-DIHYDRO-7-METHYL-6,8-DIOXO-6H-2-BENZOPYRAN-7-YL ESTER
Systematic Name English
MITORUBRINIC ACID, (-)-
Common Name English
Code System Code Type Description
MANUFACTURER PRODUCT INFORMATION
(-)-MITORUBRINIC ACID
Created by admin on Sat Dec 16 12:50:14 GMT 2023 , Edited by admin on Sat Dec 16 12:50:14 GMT 2023
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CAS
34695-99-3
Created by admin on Sat Dec 16 12:50:14 GMT 2023 , Edited by admin on Sat Dec 16 12:50:14 GMT 2023
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PUBCHEM
5468104
Created by admin on Sat Dec 16 12:50:14 GMT 2023 , Edited by admin on Sat Dec 16 12:50:14 GMT 2023
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FDA UNII
6WSO5HRQ3O
Created by admin on Sat Dec 16 12:50:14 GMT 2023 , Edited by admin on Sat Dec 16 12:50:14 GMT 2023
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