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CHEBI:184316 - 3-{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-2,4,5-trihydroxybenzoic acid

Default Structure
ChEBI IDCHEBI:184316
ChEBI Name3-{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-2,4,5-trihydroxybenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O17S
Net Charge0
Average Mass570.393
Monoisotopic Mass569.99517
SMILESO=C(Oc1cc(C(=O)Oc2c(O)c(O)cc(C(=O)O)c2O)cc(O)c1O)c1cc(O)c(OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C21H14O17S/c22-9-1-7(21(32)37-18-14(26)8(19(29)30)5-10(23)16(18)28)4-13(15(9)27)36-20(31)6-2-11(24)17(12(25)3-6)38-39(33,34)35/h1-5,22-28H,(H,29,30)(H,33,34,35)
InChIKeyNEGPRFMLWDOVEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
3-{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-2,4,5-trihydroxybenzoic acid (CHEBI:184316) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-[3-(3,5-dihydroxy-4-sulooxybenzoyl)oxy-4,5-dihydroxybenzoyl]oxy-2,4,5-trihydroxybenzoic acid
Manual XrefsDatabases
74852173ChemSpider
HMDB0128343HMDB