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Substance Name: Isoorientin 6-O''-beta-D-glucopyranoside
RN: 98568-80-0
InChIKey: WJLJMQTUQORVBM-KETMJRJWSA-N

Molecular Formula

  • C27-H30-O16

Molecular Weight

  • 610.518
 
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Names and Synonyms

  • Isoorientin 6-O''-beta-D-glucopyranoside

Registry Numbers

CAS Registry Number

  • 98568-80-0

System Generated Number

  • 0098568800

Structure Descriptors

InChI

1S/C27H30O16/c28-6-15-19(33)23(37)25(39)27(43-15)40-7-16-20(34)22(36)24(38)26(42-16)18-12(32)5-14-17(21(18)35)11(31)4-13(41-14)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

InChIKey

WJLJMQTUQORVBM-KETMJRJWSA-N

Smiles

OC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c3c(O)cc4OC(=CC(=O)c4c3O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]1O