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Substance Name: Scoparin
RN: 301-16-6
UNII: DR3Y9P779Q
InChIKey: YXHFXGHAELQJGK-PGPONNFDSA-N

Molecular Formula

  • C22-H22-O11

Molecular Weight

  • 462.4048
 
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Names and Synonyms

Name of Substance

  • Scoparin

Synonym

  • UNII-DR3Y9P779Q

Systematic Name

  • 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 301-16-6

FDA UNII

  • DR3Y9P779Q

System Generated Number

  • 0000301166

Structure Descriptors

InChI

1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1

InChIKey

YXHFXGHAELQJGK-PGPONNFDSA-N

Smiles

COc1cc(ccc1O)c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O