phylloquinone

Chemical Formula:

C₃₁H₄₆O₂

Molecular Weight:

450.703 Daltons

Monoisotopic Mass:

450.34978072079997 Daltons

SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC2(=C(C(=O)C1(C=CC=CC=1C2=O))C)

InChI:

1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

InChIKey:

MBWXNTAXLNYFJB-NKFFZRIASA-N

Synonyms

2-methyl-3-phytyl-1,4-naphthoquinone
phytonadione
phytomenadione
3-phytylmenadione
vitamin K₁

Databases

MetaCyc: 2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE

ChEBI: 94399 18067

HMDB: HMDB03555

ChemSpider: 4444124

PubChem (CID): 5280483 5284607

Wikipedia: Phylloquinone

KEGG: C02059

NCI: 270681

Seed: cpd01401

MetaNetX: MNXM1155

RefMet: Phylloquinone Vitamin K1

CAS: 84-80-0