MITORUBRINIC ACID, (S)-

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 Search

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-SHTLVRLNSA-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-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H16O9
Molecular Weight	412.3463
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:46:54 GMT 2023` Edited by `admin` on `Sat Dec 16 12:46:54 GMT 2023`
Record UNII	651TW1SQXH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MITORUBRINIC ACID, (S)-

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, (S-(E))-

Systematic Name

English

BENZOIC ACID, 2,4-DIHYDROXY-6-METHYL-, (7S)-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

PUBCHEM

24721422

Created by admin on Sat Dec 16 12:46:54 GMT 2023 , Edited by admin on Sat Dec 16 12:46:54 GMT 2023

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FDA UNII

651TW1SQXH

Created by admin on Sat Dec 16 12:46:54 GMT 2023 , Edited by admin on Sat Dec 16 12:46:54 GMT 2023

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MANUFACTURER PRODUCT INFORMATION

MITORUBRINIC-ACID

Created by admin on Sat Dec 16 12:46:54 GMT 2023 , Edited by admin on Sat Dec 16 12:46:54 GMT 2023

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CAS

58958-07-9

Created by admin on Sat Dec 16 12:46:54 GMT 2023 , Edited by admin on Sat Dec 16 12:46:54 GMT 2023

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