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demethylphylloquinone

Properties

Image

Occurences in reactions

MNX_ID

MNXM35431

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	5

formula

C₃₀H₄₄O₂

charge

mass

436.33413

reference

chebi:31087

InChIKey

UDYIPZFWVJJQJF-KQPZCCJBSA-N

InChI

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

SMILES

C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31087 chebi:31087	demethylphylloquinone 2-Phytyl-1,4-naphthoquinone 2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione 2-phytyl-1,4-naphthoquinone Demethylphylloquinone
kegg.compound:C13309 keggC:C13309	2-Phytyl-1,4-naphthoquinone Demethylphylloquinone
bigg.metabolite:dmtphllqne biggM:dmtphllqne	Demethylphylloquinone
hmdb:HMDB0004649	Demethylphylloquinone 2-Phytyl-1,4-naphthoquinone 2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione 2-phytyl-1,4-naphthoquinone PHNQ CPD
seed.compound:cpd09410 seedM:cpd09410	Demethylphylloquinone 2-Phytyl-1,4-naphthoquinone 2-phytyl-1,4-naphtoquinone 3-phytyl-1,4-naphtoquinone demethylphylloquinone
metacyc.compound:CPD-6947 metacycM:CPD-6947	demethylphylloquinone 2-phytyl-1,4-naphtoquinone
hmdb:HMDB04649 biggM:M_dmtphllqne keggC:M_C13309 seedM:M_cpd09410	secondary/obsolete/fantasy identifier