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CHEBI:169348 - {4-hydroxy-7-[(sulfooxy)methyl]-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene}oxidanium

ChEBI IDCHEBI:169348
ChEBI Name{4-hydroxy-7-[(sulfooxy)methyl]-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene}oxidanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H13O11S
Net Charge+1
Average Mass437.358
Monoisotopic Mass437.01731
SMILESO=S(=O)(O)OCc1cc2c(O)c(-c3cc(O)c(O)c(O)c3)oc3cc(=[OH+])cc(o1)c32
InChIInChI=1S/C18H12O11S/c19-8-3-13-15-10(5-9(28-13)6-27-30(24,25)26)16(22)18(29-14(15)4-8)7-1-11(20)17(23)12(21)2-7/h1-5,20-23H,6H2,(H,24,25,26)/p+1
InChIKeyHIAHGRWPTDAHPQ-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-hydroxy-7-[(sulfooxy)methyl]-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene}oxidanium (CHEBI:169348) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
[4-hydroxy-7-(sulooxymethyl)-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
Manual XrefsDatabases
HMDB0124761HMDB