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Substance Name: 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
RN: 107190-70-5
InChIKey: KAJMZANRKFVVKV-CAUJCIISSA-N

Molecular Formula

  • C36-H36-O17

Molecular Weight

  • 740.663
 
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Names and Synonyms

  • 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 107190-70-5

Other Registry Numbers

  • 1462264-33-0
  • 150469-05-9
  • 150521-98-5
  • 150521-99-6

System Generated Number

  • 0107190705

Structure Descriptors

InChI

1S/C36H36O17/c1-15-26(42)30(46)34(53-35-31(47)29(45)27(43)23(51-35)14-48-24(41)11-4-16-2-7-18(37)8-3-16)36(49-15)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23+,26-,27+,29-,30+,31+,34+,35-,36?/m0/s1

InChIKey

KAJMZANRKFVVKV-CAUJCIISSA-N

Smiles

O([C@@H]1[C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)\C=C\c2ccc(cc2)O)O)O)O)[C@@H]([C@H]([C@@H](O1)C)O)O)c1c(c2c(cc(cc2oc1c1ccc(cc1)O)O)O)=O