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Substance Name: Centaurein
RN: 35595-03-0
UNII: Y985P9U3S7
InChIKey: GGMCFLXPZMBJMV-NPVWYNPDSA-N

Note

  • Isolated from Centaurea corcubionensis.

Molecular Formula

  • C24-H26-O13

Molecular Weight

  • 522.4564
 
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Names and Synonyms

Name of Substance

  • Centaurein

Synonym

  • UNII-Y985P9U3S7

Systematic Name

  • 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-

Registry Numbers

CAS Registry Number

  • 35595-03-0

FDA UNII

  • Y985P9U3S7

System Generated Number

  • 0035595030

Structure Descriptors

InChI

1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1

InChIKey

GGMCFLXPZMBJMV-NPVWYNPDSA-N

Smiles

COC1=C(Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c2C1=O)c4ccc(OC)c(O)c4