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CHEBI:168747 - 7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

ChEBI IDCHEBI:168747
ChEBI Name7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,6,9,11-hexaen-2-ylium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H17O8
Net Charge+1
Average Mass433.392
Monoisotopic Mass433.09179
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(-c5ccc(O)cc5)cc(c2O)c43)cc(O)c1O
InChIInChI=1S/C24H16O8/c1-30-20-7-12(6-16(27)23(20)29)24-22(28)15-10-17(11-2-4-13(25)5-3-11)31-18-8-14(26)9-19(32-24)21(15)18/h2-10,25,27-29H,1H3/p+1
InChIKeyUVTYPLNNDLJXIR-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,6,9,11-hexaen-2-ylium (CHEBI:168747) is a ether (CHEBI:25698)
7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,6,9,11-hexaen-2-ylium (CHEBI:168747) is a flavonoids (CHEBI:72544)
IUPAC Name 
[3-(3,4-dihydroxy-5-methoxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium