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Substance Name: Vitamin K1 aglycone I
RN: 51732-61-7
InChIKey: BCNIZSHMXASUGF-YRNVUSSQSA-N

Note

  • Vitamin K1 urinary metabolite.

Molecular Formula

  • C18-H18-O4

Molecular Weight

  • 298.3362
 
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Names and Synonyms

Name of Substance

  • Vitamin K1 aglycone I

Synonyms

  • 2-Methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone
  • Phylloquinone aglycone I

Systematic Name

  • 4-Hexenoic acid, 6-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 51732-61-7

System Generated Number

  • 0051732617

Structure Descriptors

InChI

1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)/b11-7+

InChIKey

BCNIZSHMXASUGF-YRNVUSSQSA-N

Smiles

CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCC(=O)O