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Substance Name: beta-D-Glucopyranosiduronic acid, benzo(a)pyrenyl
RN: 128523-59-1
InChIKey: PGMFLAFKVGLMKD-RTJSLLHCSA-N

Molecular Formula

  • C26-H20-O7

Molecular Weight

  • 446.453
 
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Names and Synonyms

  • beta-D-Glucopyranosiduronic acid, benzo(a)pyrenyl

Registry Numbers

CAS Registry Number

  • 128523-59-1

System Generated Number

  • 0128523591

Structure Descriptors

InChI

1S/C26H22O7/c27-20-21(28)23(24(30)31)32-25(22(20)29)33-26-11-2-1-6-16(26)12-15-8-7-13-4-3-5-14-9-10-17(26)19(15)18(13)14/h1-12,15,20-23,25,27-29H,(H,30,31)/t15?,20-,21-,22+,23-,25-,26?/m0/s1

InChIKey

PGMFLAFKVGLMKD-RTJSLLHCSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@]12C(=C[C@@H]3C=Cc4cccc5ccc1c3c45)C=CC=C2