CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: (\{6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl\}methoxy)sulfonic acid
Accession: CHEBI:169263
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Synonyms: exact_synonym: [6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate
related_synonym: Formula=C36H36O20S; InChI=1S/C36H36O20S/c37-14-3-1-11(5-17(14)40)33-21(44)7-13-16(39)8-19(42)24(35(13)56-33)27-26-22(54-34(30(27)47)12-2-4-15(38)18(41)6-12)9-20(43)25(29(26)46)36-32(49)31(48)28(45)23(55-36)10-53-57(50,51)52/h1-6,8-9,21,23,27-28,30-34,36-49H,7,10H2,(H,50,51,52); InChIKey=YJKASEDSROLSMT-UHFFFAOYSA-N; SMILES=S(OCC1OC(C(O)C(O)C1O)C2=C(O)C=3C(C(O)C(OC3C=C2O)C4=CC(O)=C(O)C=C4)C=5C=6OC(C(O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)(O)(=O)=O
xref: HMDB:HMDB0126757
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Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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chemical entity
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atom
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nonmetal atom
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oxygen atom
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oxygen molecular entity
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flavonoids
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flavonoid oligomer
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(\{6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl\}methoxy)sulfonic acid
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Path 2
CHEBI ontology
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subatomic particle
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composite particle
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hadron
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baryon
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nucleon
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atomic nucleus
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atom
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main group element atom
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p-block element atom
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carbon group element atom
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carbon atom
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organic molecular entity
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organic molecule
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organic cyclic compound
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organic heterocyclic compound
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oxacycle
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benzopyran
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1-benzopyran
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flavonoid oligomer
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(\{6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl\}methoxy)sulfonic acid
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