CHEBI:208645 - Hansforester C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hansforester C
ChEBI ID CHEBI:208645
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H44O17
Net Charge 0
Average Mass 796.775
Monoisotopic Mass 796.25785
InChI InChI=1S/C40H44O17/c1-6-7-26(41)12-25-15-29(44)18-32(47)37(25)40(53)57-22(5)11-34(49)55-20(3)9-24-14-28(43)17-31(46)36(24)39(52)56-21(4)10-33(48)54-19(2)8-23-13-27(42)16-30(45)35(23)38(50)51/h6-7,13-22,42-47H,8-12H2,1-5H3,(H,50,51)/b7-6+/t19-,20-,21-,22-/m1/s1
InChIKey GSFSQDGNNVDWOU-KQWMUXCGSA-N
SMILES O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=C(C(O)=CC(=C2)O)C(=O)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)/C=C/C
Metabolite of Species Details
Ascotricha sinuosa (NCBI:txid1217297) See: DOI
ChEBI Ontology
Outgoing Hansforester C (CHEBI:208645) has functional parent hexacarboxylic acid (CHEBI:59359)
Hansforester C (CHEBI:208645) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[(2R)-2-[(3R)-3-[2-[(2R)-2-[(3R)-3-[2,4-dihydroxy-6-[(E)-2-oxopent-3-enyl]benzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoic acid
Manual Xref Database
71048430 ChemSpider
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