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demethylphylloquinone

PropertiesImage
MNX_IDMNXM35431 Image of MNXM35431
referencechebi:31087
formulaC30H44O2
global charge0
mol weight436.68
InChIKeyUDYIPZFWVJJQJF-KQPZCCJBSA-N
InChIInChI=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
SMILESC/C(=C\CC1=CC(=O)C2=C(C=CC=C2)C1=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM35431
SMILES (mnx)[CH3:1][CH:22]([CH3:2])[CH2:11][CH2:8][CH2:12][C@@H:23]([CH3:3])[CH2:13][CH2:9][CH2:14][C@@H:24]([CH3:4])[CH2:15][CH2:10][CH2:16]/[C:25]([CH3:5])=[CH:19]/[CH2:20][C:26]1=[CH:21][C:29](=[O:31])[C:27]2=[CH:17][CH:6]=[CH:7][CH:18]=[C:28]2[C:30]1=[O:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31087
chebi:31087
UDYIPZFWVJJQJF-KQPZCCJBSA-N 		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
UDYIPZFWVJJQJF-NCELDCMTSA-N 		2-Phytyl-1,4-naphthoquinone
Demethylphylloquinone

bigg.metabolite:dmtphllqne
biggM:dmtphllqne 		Demethylphylloquinone
hmdb:HMDB0004649
UDYIPZFWVJJQJF-KQPZCCJBSA-N 		Demethylphylloquinone
2-Phytyl-1,4-naphthoquinone
2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenyl]-1,4-naphthalenedione
2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione
2-phytyl-1,4-naphthoquinone
Nor-alpha-phylloquinone
Norvitamin K
PHNQ CPD

seed.compound:cpd09410
seedM:cpd09410
UDYIPZFWVJJQJF-KQPZCCJBSA-N 		Demethylphylloquinone
2-Phytyl-1,4-naphthoquinone
2-phytyl-1,4-naphtoquinone
3-phytyl-1,4-naphtoquinone
demethylphylloquinone

vmhM:dmphqno
vmhmetabolite:dmphqno
UDYIPZFWVJJQJF-KQPZCCJBSA-N 		Demethylphylloquinone
2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione

metacyc.compound:CPD-6947
metacycM:CPD-6947
UDYIPZFWVJJQJF-KQPZCCJBSA-N 		demethylphylloquinone
2-phytyl-1,4-naphtoquinone

hmdb:HMDB04649
biggM:M_dmtphllqne
keggC:M_C13309
seedM:M_cpd09410
vmhM:M_dmphqno 		secondary/obsolete/fantasy identifier