CHEBI:221398 - 15G256ν

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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 15G256ν
ChEBI ID CHEBI:221398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H24O9
Net Charge 0
Average Mass 384.381
Monoisotopic Mass 384.14203
InChI InChI=1S/C18H24O9/c1-9(19)4-16(24)26-10(2)5-12-7-13(20)8-14(21)17(12)18(25)27-11(3)6-15(22)23/h7-11,19-21H,4-6H2,1-3H3,(H,22,23)/t9-,10-,11-/m1/s1
InChIKey XLDHIOLFESHLLG-GMTAPVOTSA-N
SMILES O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](O)C)C
Metabolite of Species Details
Hypoxylon (NCBI:txid42308) See: DOI
ChEBI Ontology
Outgoing 15G256ν (CHEBI:221398) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name
(3R)-3-[2,4-dihydroxy-6-[(2R)-2-[(3R)-3-hydroxybutanoyl]oxypropyl]benzoyl]oxybutanoic acid
Manual Xref Database
10479417 ChemSpider
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