demethylphylloquinone

Chemical Formula:

C₃₀H₄₄O₂

Molecular Weight:

436.676 Daltons

Monoisotopic Mass:

436.3341306566 Daltons

SMILES:

CC(CCCC(CCCC(C)CCCC(=CCC2(=CC(=O)C1(C(=CC=CC=1)C(=O)2)))C)C)C

InChI:

1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+/t23-,24-/m1/s1

InChIKey:

UDYIPZFWVJJQJF-KQPZCCJBSA-N

Synonyms

2-phytyl-1,4-naphtoquinone

Databases

MetaCyc: CPD-6947

PubChem (CID): 56927684

HMDB: HMDB04649

ChEBI: 31087

ChemSpider: 10128305

KEGG: C13309

RefMet: 2-Phytyl-1,4-naphthoquinone

Seed: cpd09410

MetaNetX: MNXM35431