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Substance Name: 2-O-Glucosyl-7-methoxy-1,4(2H)-benzoxazin-3-one
RN: 17622-26-3
InChIKey: PMBZSEOAOIYRMW-XGHDNVSXSA-N

Note

  • From root of Coix lachryma-jobi.

Molecular Formula

  • C15-H19-N-O9

Molecular Weight

  • 357.313
 
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Names and Synonyms

Name of Substance

  • 2-O-Glucosyl-7-methoxy-1,4(2H)-benzoxazin-3-one

Synonym

  • 2-Gmbo

Systematic Name

  • 2H-1,4-Benzoxazin-3(4H)-one, 2-(beta-D-glucopyranosyloxy)-7-methoxy-

Registry Numbers

CAS Registry Number

  • 17622-26-3

System Generated Number

  • 0017622263

Structure Descriptors

InChI

1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1

InChIKey

PMBZSEOAOIYRMW-XGHDNVSXSA-N

Smiles

O1[C@@H](C(Nc2c1cc(cc2)OC)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO