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Substance Name: Quercetin-3-O-neohesperidose
RN: 29322-06-3
InChIKey: NBNYGFLJKWYZCH-BXLORXDOSA-N

Molecular Formula

  • C27-H30-O16

Molecular Weight

  • 610.518
 
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Names and Synonyms

Name of Substance

  • Quercetin-3-O-neohesperidose

Synonym

  • q3On

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-((6-deoxy-O-glucosyl-L-mannosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

Registry Numbers

CAS Registry Number

  • 29322-06-3

System Generated Number

  • 0029322063

Structure Descriptors

InChI

1S/C27H30O16/c1-8-17(33)24(18(34)15(7-28)39-8)41-26-21(37)20(36)22(38)27(43-26)42-25-19(35)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,24,26-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21+,22+,24+,26+,27+/m0/s1

InChIKey

NBNYGFLJKWYZCH-BXLORXDOSA-N

Smiles

C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O