MYCOPHENOLIC ACID ACYL GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O12
Molecular Weight	496.4612
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of MYCOPHENOLIC ACID ACYL GLUCURONIDE

Structure Search

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=QBMSTEZXAMABFF-UEARNRKISA-N

InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O12
Molecular Weight	496.4612
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:33:08 GMT 2023` Edited by `admin` on `Sat Dec 16 09:33:08 GMT 2023`
Record UNII	B96732OXNA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYCOPHENOLIC ACID ACYL GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4E)-6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-1-OXO-4-HEXENOATE)

Systematic Name

English

Code System Code Type Description

CHEBI

64689

Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023

PRIMARY

PUBCHEM

10028772

Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023

PRIMARY

CAS

99043-04-6

Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023

PRIMARY

FDA UNII

B96732OXNA

Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023

PRIMARY

Related Record Type Details


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MYCOPHENOLIC ACID

PARENT -> METABOLITE ACTIVE

Qualification:

PLASMA

Amount: