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Substance Name: beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl O-beta-D-galactopyranosyl-
RN: 77154-70-2
InChIKey: GYYXDIJLARMBGR-VWALGMAWSA-N

Molecular Formula

  • C27-H28-O18

Molecular Weight

  • 640.5
 
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Names and Synonyms

  • beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl O-beta-D-galactopyranosyl-

Registry Numbers

CAS Registry Number

  • 77154-70-2

System Generated Number

  • 0077154702

Structure Descriptors

InChI

1S/C27H28O18/c28-7-15-18(33)19(34)20(35)23(42-15)44-25-26(39,9-1-4-12(30)13(31)5-9)21(36)22(37)27(40,45-25)24(38)43-16-8-41-14-6-10(29)2-3-11(14)17(16)32/h1-6,8,15,18-23,25,28-31,33-37,39-40H,7H2/t15-,18+,19+,20-,21+,22+,23+,25-,26-,27+/m1/s1

InChIKey

GYYXDIJLARMBGR-VWALGMAWSA-N

Smiles

O([C@H]1[C@](O)([C@@H](O)[C@H](O)[C@](O1)(C(=O)Oc1coc2c(c1=O)ccc(c2)O)O)c1cc(c(cc1)O)O)[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO