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3-linalylflaviolin

PropertiesImage
MNX_IDMNXM146351 Image of MNXM146351
referencechebi:78347
formulaC20H21O5
global charge-1
mol weight341.383
InChIKeyYLXGIQYXMIHMOL-UHFFFAOYSA-M
InChIInChI=1S/C20H22O5/c1-5-20(4,8-6-7-11(2)3)16-18(24)15-13(17(23)19(16)25)9-12(21)10-14(15)22/h5,7,9-10,21-22,25H,1,6,8H2,2-4H3/p-1
SMILESC=CC(C)(CCC=C(C)C)C1=C([O-])C(=O)C2=C(C1=O)C(O)=CC(O)=C2
MNX internals
InChI (mnx)InChI=1/C20H22O5/c1-5-20(4,8-6-7-11(2)3)16-18(24)15-13(17(23)19(16)25)9-12(21)10-14(15)22/h5,7,9-10,21-22,25H,1,6,8H2,2-4H3/t20? Image of MNXM146351
SMILES (mnx)[CH2:1]=[CH:5][C:20]([CH3:4])([CH2:8][CH2:6][CH:7]=[C:11]([CH3:2])[CH3:3])[C:16]1=[C:19]([OH:25])[C:17](=[O:23])[C:13]2=[C:15]([C:14]([OH:22])=[CH:10][C:12]([OH:21])=[CH:9]2)[C:18]1=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78347
chebi:78347
YLXGIQYXMIHMOL-UHFFFAOYSA-M 		3-linalylflaviolin
3-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate
3-linalylflaviolin(1-)
3-linalylflaviolin-2-olate

seed.compound:cpd35891
seedM:cpd35891
YLXGIQYXMIHMOL-UHFFFAOYSA-M 		2,5,7-trihydroxy-3-(3,7-dimethylocta-1,6-dien-3-yl)naphthalene-1,4-dione
3-linalylflaviolin

kegg.compound:C20984
keggC:C20984
YLXGIQYXMIHMOL-UHFFFAOYSA-N 		3-Linalylflaviolin

metacyc.compound:CPD-16656
metacycM:CPD-16656
YLXGIQYXMIHMOL-UHFFFAOYSA-N 		3-linalylflaviolin
2,5,7-trihydroxy-3-(3,7-dimethylocta-1,6-dien-3-yl)naphthalene-1,4-dione

CHEBI:79196
chebi:79196
YLXGIQYXMIHMOL-UHFFFAOYSA-N 		3-linalylflaviolin
3-(3,7-dimethylocta-1,6-dien-3-yl)-2,5,7-trihydroxy-1,4-naphthoquinone

keggC:M_C20984
seedM:M_cpd35891 		secondary/obsolete/fantasy identifier