CHEBI:204943 - Aspernolide I

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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 Aspernolide I
ChEBI ID CHEBI:204943
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H28O9
Net Charge 0
Average Mass 472.490
Monoisotopic Mass 472.17333
InChI InChI=1S/C25H28O9/c1-24(2,31)19(28)12-16-11-14(5-10-18(16)27)13-25(23(30)33-4)20(21(32-3)22(29)34-25)15-6-8-17(26)9-7-15/h5-11,19,26-28,31H,12-13H2,1-4H3/t19-,25+/m0/s1
InChIKey DOBNLAOKYKLRPS-UQBPGWFLSA-N
SMILES O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@H](O)C(O)(C)C)C(=C1OC)C3=CC=C(O)C=C3
Metabolite of Species Details
Aspergillus iizukae (NCBI:txid41901) See: DOI
ChEBI Ontology
Outgoing Aspernolide I (CHEBI:204943) is a fatty acid ester (CHEBI:35748)
IUPAC Name
methyl (2R)-2-[[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxouran-2-carboxylate
Manual Xref Database
78442307 ChemSpider
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