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Substance Name: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-
RN: 83830-84-6
InChIKey: MSUZWPXKWROYDK-UGOSNRJOSA-N

Molecular Formula

  • C33-H40-O22

Molecular Weight

  • 788.657
 
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Names and Synonyms

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-

Registry Numbers

CAS Registry Number

  • 83830-84-6

System Generated Number

  • 0083830846

Structure Descriptors

InChI

1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-10-4-13(39)18-14(5-10)50-28(9-1-2-11(37)12(38)3-9)29(22(18)43)54-33-30(25(46)21(42)17(8-36)53-33)55-32-27(48)24(45)20(41)16(7-35)52-32/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,27-,30-,31-,32+,33+/m1/s1

InChIKey

MSUZWPXKWROYDK-UGOSNRJOSA-N

Smiles

OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4C3=O)c6ccc(O)c(O)c6)[C@H](O)[C@@H](O)[C@H]1O