Search MNXref
 Feedback

gentiacaulein

PropertiesImage
MNX_IDMNXM54880 Image of MNXM54880
referencechebi:5313
formulaC15H12O6
global charge0
mol weight288.255
InChIKeyWYOSCUWDVFHQFY-UHFFFAOYSA-N
InChIInChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
SMILESCOC1=CC(O)=C2C(=O)C3=C(C=CC(O)=C3OC)OC2=C1
MNX internals
InChI (mnx)InChI=1/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3 Image of MNXM54880
SMILES (mnx)[CH3:1][O:19][C:7]1=[CH:5][C:9]([OH:17])=[C:12]2[C:11](=[CH:6]1)[O:21][C:10]1=[C:13]([C:14]2=[O:18])[C:15]([O:20][CH3:2])=[C:8]([OH:16])[CH:3]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5313
chebi:5313
WYOSCUWDVFHQFY-UHFFFAOYSA-N
gentiacaulein
2,8-Dihydroxy-1,6-dimethoxyxanthone
2,8-dihydroxy-1,6-dimethoxy-9H-xanthen-9-one

seed.compound:cpd06954
seedM:cpd06954
kegg.compound:C10064
keggC:C10064
WYOSCUWDVFHQFY-UHFFFAOYSA-N
Gentiacaulein
2,8-Dihydroxy-1,6-dimethoxyxanthone
hmdb:HMDB0252694
WYOSCUWDVFHQFY-UHFFFAOYSA-N
Gentiacaulein
2,8-Dihydroxy-1,6-dimethoxyxanthone
2,8-dihydroxy-1,6-dimethoxy-9H-xanthen-9-one
gentiacaulein

keggC:M_C10064
seedM:M_cpd06954
secondary/obsolete/fantasy identifier