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CHEBI:227296 - Quaesitic acid

ChEBI IDCHEBI:227296
ChEBI NameQuaesitic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H14O13
Net Charge0
Average Mass486.341
Monoisotopic Mass486.04344
SMILESCc1cc(O)c(C=O)c2c1C(=O)Oc1c(COC(=O)/C=C/C(=O)O)c(O)c3c(c1O2)[C@@H](O)OC3=O
InChIInChI=1S/C22H14O13/c1-7-4-10(24)8(5-23)17-13(7)20(29)34-18-9(6-32-12(27)3-2-11(25)26)16(28)14-15(19(18)33-17)22(31)35-21(14)30/h2-5,22,24,28,31H,6H2,1H3,(H,25,26)/b3-2+/t22-/m0/s1
InChIKeyWTTKLUBBGWMOHA-ZZTDINLMSA-N
Species of MetaboliteComponentSourceComments
Hypotrachyna (ncbitaxon:172618) - DOI (10.1071/ch99056)
ChEBI Ontology
Outgoing Relation(s)
Quaesitic acid (CHEBI:227296) has functional parent tetracarboxylic acid (CHEBI:35742)
Quaesitic acid (CHEBI:227296) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(E)-4-[(4-ormyl-5,13,17-trihydroxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaen-12-yl)methoxy]-4-oxobut-2-enoic acid
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78435518ChemSpider