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Substance Name: Rhodalidin
RN: 94696-37-4
UNII: B3O599Q1UA
InChIKey: KAMNGBDKYCAJCF-BPCHNOSOSA-N

Molecular Formula

  • C26-H28-O16

Molecular Weight

  • 596.4912
 
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Names and Synonyms

Name of Substance

  • Rhodalidin

Synonyms

  • 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(beta-D-xylopyranosyloxy)-
  • Rhodalidin
  • UNII-B3O599Q1UA

Registry Numbers

CAS Registry Number

  • 94696-37-4

FDA UNII

  • B3O599Q1UA

System Generated Number

  • 0094696374

Structure Descriptors

InChI

1S/C26H28O16/c27-6-13-16(33)18(35)20(37)26(39-13)42-24-17(34)14-10(29)5-11(30)22(41-25-19(36)15(32)12(31)7-38-25)23(14)40-21(24)8-1-3-9(28)4-2-8/h1-5,12-13,15-16,18-20,25-33,35-37H,6-7H2/t12-,13-,15+,16-,18+,19-,20-,25+,26+/m1/s1

InChIKey

KAMNGBDKYCAJCF-BPCHNOSOSA-N

Smiles

OC[C@H]1O[C@@H](OC2=C(Oc3c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(O)cc(O)c3C2=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O