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Substance Name: Vitamin K1 aglycone III
RN: 77179-33-0
InChIKey: HVQICNGHJVUSBO-ACCUITESSA-N

Note

  • Vitamin K1 urinary metabolite.

Molecular Weight

  • 340.4166
 
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Names and Synonyms

Name of Substance

  • Vitamin K1 aglycone III

Synonyms

  • 2-Methyl-3-(7'-carboxy-3',7'-dimethyl-2'-heptenyl)-1,4-naphthoquinone
  • Phylloquinone aglycone III

Systematic Name

  • 6-Octenoic acid, 8-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-2,6-dimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 77179-33-0

System Generated Number

  • 0077179330

Structure Descriptors

InChI

1S/C21H24O4/c1-13(7-6-8-14(2)21(24)25)11-12-16-15(3)19(22)17-9-4-5-10-18(17)20(16)23/h4-5,9-11,14H,6-8,12H2,1-3H3,(H,24,25)/b13-11+

InChIKey

HVQICNGHJVUSBO-ACCUITESSA-N

Smiles

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