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CHEBI:185224 - 6-{[1-(7-chloro-3,5,6,8-tetramethoxy-4-oxo-4H-chromen-2-yl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185224
ChEBI Name6-{[1-(7-chloro-3,5,6,8-tetramethoxy-4-oxo-4H-chromen-2-yl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27ClO15
Net Charge0
Average Mass614.940
Monoisotopic Mass614.10385
SMILESCOC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)(c2oc3c(OC)c(Cl)c(OC)c(OC)c3c(=O)c2OC)C=CC1=O
InChIInChI=1S/C26H27ClO15/c1-35-10-8-26(7-6-9(10)28,42-25-16(32)14(30)15(31)22(41-25)24(33)34)23-21(39-5)13(29)11-17(36-2)19(37-3)12(27)20(38-4)18(11)40-23/h6-8,14-16,22,25,30-32H,1-5H3,(H,33,34)
InChIKeyWDVRTBQOGZIOJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-{[1-(7-chloro-3,5,6,8-tetramethoxy-4-oxo-4H-chromen-2-yl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185224) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[1-(7-chloro-3,5,6,8-tetramethoxy-4-oxochromen-2-yl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135847HMDB
74886822ChemSpider