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CHEBI:192045 - Pigment A aglycone

ChEBI IDCHEBI:192045
ChEBI NamePigment A aglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H19O8
Net Charge+1
Average Mass447.419
Monoisotopic Mass447.10744
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(-c5ccc(O)cc5)cc(c2O)c43)cc(OC)c1O
InChIInChI=1S/C25H18O8/c1-30-20-7-13(8-21(31-2)24(20)29)25-23(28)16-11-17(12-3-5-14(26)6-4-12)32-18-9-15(27)10-19(33-25)22(16)18/h3-11,26,28-29H,1-2H3/p+1
InChIKeyFDAUNCGQMWQKOE-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Pigment A aglycone (CHEBI:192045) is a ether (CHEBI:25698)
Pigment A aglycone (CHEBI:192045) is a flavonoids (CHEBI:72544)
IUPAC Name 
[4-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium