CHEBI:220980 - Aspernolide G

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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 G
ChEBI ID CHEBI:220980
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O9
Net Charge 0
Average Mass 486.517
Monoisotopic Mass 486.18898
InChI InChI=1S/C26H30O9/c1-5-34-22-21(16-7-9-18(27)10-8-16)26(24(31)33-4,35-23(22)30)14-15-6-11-19(28)17(12-15)13-20(29)25(2,3)32/h6-12,20,27-29,32H,5,13-14H2,1-4H3/t20-,26+/m0/s1
InChIKey QUSUCMRGJBZSBW-RXFWQSSRSA-N
SMILES O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@H](O)C(O)(C)C)C(=C1OCC)C3=CC=C(O)C=C3
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: DOI
ChEBI Ontology
Outgoing Aspernolide G (CHEBI:220980) is a fatty acid ester (CHEBI:35748)
IUPAC Name
methyl (2R)-2-[[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl]methyl]-4-ethoxy-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual Xref Database
78443453 ChemSpider
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