CHEBI:180800 - 6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:180800
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H34O16
Net Charge 0
Average Mass 722.652
Monoisotopic Mass 722.18469
InChI InChI=1S/C36H34O16/c37-15-3-1-2-13(8-15)32-27(43)25(17-6-5-16(38)10-23(17)49-32)26-24(50-36-30(46)28(44)29(45)34(52-36)35(47)48)12-20(40)18-11-22(42)31(51-33(18)26)14-4-7-19(39)21(41)9-14/h1-10,12,22,25,27-32,34,36-46H,11H2,(H,47,48)
InChIKey UXCVFZPWYWJMRX-UHFFFAOYSA-N
SMILES O1C=2C(C3C(O)C(OC4=C3C=CC(O)=C4)C5=CC(O)=CC=C5)=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=C(O)C2CC(O)C1C7=CC(O)=C(O)C=C7
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180800) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name
6-[[8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0135093 HMDB
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