6-HYDROXYBENZO(A)PYRENE GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H20O7
Molecular Weight	444.4328
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-HYDROXYBENZO(A)PYRENE GLUCURONIDE

Structure Search

SMILES

O[C@H]1[C@H](OC2=C3C=CC=CC3=C4C=CC5=CC=CC6=C5C4=C2C=C6)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=KFMNIRXSVPJVJN-SNYRDRRFSA-N

InChI=1S/C26H20O7/c27-20-21(28)24(25(30)31)33-26(22(20)29)32-23-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(23)19(15)18(12)13/h1-11,20-22,24,26-29H,(H,30,31)/t20-,21-,22+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H20O7
Molecular Weight	444.4328
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:49:51 GMT 2023` Edited by `admin` on `Sat Dec 16 09:49:51 GMT 2023`
Record UNII	8UL8R08F6F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-HYDROXYBENZO(A)PYRENE GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, BENZO(A)PYREN-6-YL

Systematic Name

English

BENZO(A)PYRENE-6-GLUCURONIDE

Common Name

English

BENZO(A)PYREN-6-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

8UL8R08F6F

Created by admin on Sat Dec 16 09:49:51 GMT 2023 , Edited by admin on Sat Dec 16 09:49:51 GMT 2023

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EPA CompTox

DTXSID50975673

Created by admin on Sat Dec 16 09:49:51 GMT 2023 , Edited by admin on Sat Dec 16 09:49:51 GMT 2023

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PUBCHEM

121596537

Created by admin on Sat Dec 16 09:49:51 GMT 2023 , Edited by admin on Sat Dec 16 09:49:51 GMT 2023

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CAS

60262-85-3

Created by admin on Sat Dec 16 09:49:51 GMT 2023 , Edited by admin on Sat Dec 16 09:49:51 GMT 2023

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