Search MNXref
 Feedback

Spinacetin

MNXM682806 is deprecated and here replaced by MNXM1370768
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370768 Image of MNXM1370768
referencechebi:175364
formulaC17H14O8
global charge0
mol weight346.291
InChIKeyXWIDINOKCRFVHQ-UHFFFAOYSA-N
InChIInChI=1S/C17H14O8/c1-23-10-5-7(3-4-8(10)18)16-15(22)13(20)12-11(25-16)6-9(19)17(24-2)14(12)21/h3-6,18-19,21-22H,1-2H3
SMILESCOC1=C(O)C=CC(C2=C(O)C(=O)C3=C(C=C(O)C(OC)=C3O)O2)=C1
MNX internals
InChI (mnx)InChI=1/C17H14O8/c1-23-10-5-7(3-4-8(10)18)16-15(22)13(20)12-11(25-16)6-9(19)17(24-2)14(12)21/h3-6,18-19,21-22H,1-2H3 Image of MNXM1370768
SMILES (mnx)[CH3:1][O:23][C:10]1=[C:8]([OH:18])[CH:4]=[CH:3][C:7]([C:16]2=[C:15]([OH:22])[C:13](=[O:20])[C:12]3=[C:11]([CH:6]=[C:9]([OH:19])[C:17]([O:24][CH3:2])=[C:14]3[OH:21])[O:25]2)=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175364
chebi:175364
XWIDINOKCRFVHQ-UHFFFAOYSA-N 		Spinacetin
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one

lipidmaps:LMPK12112995
lipidmapsM:LMPK12112995
XWIDINOKCRFVHQ-UHFFFAOYSA-N 		Spinacetin
3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone
Quercetagetin 3',6-dimethyl ether
hmdb:HMDB0030587
XWIDINOKCRFVHQ-UHFFFAOYSA-N 		Spinacetin
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one, 9ci
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one
4',5,7-Trihydroxy-3',6-dimethoxyflavonol
Quercetagetin 3',6-dimethyl ether
spinacetin

metacyc.compound:CPD-16776
metacycM:CPD-16776
XWIDINOKCRFVHQ-UHFFFAOYSA-M 		quercetagetin 3',6-dimethyl ether
3,4',5,7-tetrahydroxy-3',6-dimethoxyflavone
4',5,7-trihydroxy-3',6-dimethoxyflavonol
spinacetin

hmdb:HMDB30587 		secondary/obsolete/fantasy identifier