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CHEBI:169899 - 4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium

ChEBI IDCHEBI:169899
ChEBI Name4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H19O11S
Net Charge+1
Average Mass527.483
Monoisotopic Mass527.06426
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(-c5ccc(OS(=O)(=O)O)cc5)cc(c2O)c43)cc(OC)c1O
InChIInChI=1S/C25H18O11S/c1-32-20-7-13(8-21(33-2)24(20)28)25-23(27)16-11-17(12-3-5-15(6-4-12)36-37(29,30)31)34-18-9-14(26)10-19(35-25)22(16)18/h3-11,27-28H,1-2H3,(H,29,30,31)/p+1
InChIKeyOIYKNOJEWLIDIB-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)
4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium (CHEBI:169899) is a ether (CHEBI:25698)
4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium (CHEBI:169899) is a flavonoids (CHEBI:72544)
IUPAC Name 
[4-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-sulooxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium