CHEBI:203993 - Sartorypyrone A

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ChEBI Name Sartorypyrone A
ChEBI ID CHEBI:203993
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O5
Net Charge 0
Average Mass 456.623
Monoisotopic Mass 456.28757
InChI InChI=1S/C28H40O5/c1-18(11-14-23-25(30)17-21(4)32-27(23)31)9-8-10-19(2)12-15-24-20(3)13-16-26(28(24,6)7)33-22(5)29/h10-11,17,24,26,30H,3,8-9,12-16H2,1-2,4-7H3/b18-11+,19-10+/t24-,26+/m1/s1
InChIKey VDURTFXVMLMCFA-GISJPLNESA-N
SMILES O=C1OC(=CC(=C1C/C=C(/CC/C=C(/CC[C@@H]2C(=C)CC[C@@H](C2(C)C)OC(=O)C)\C)\C)O)C
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: DOI
ChEBI Ontology
Outgoing Sartorypyrone A (CHEBI:203993) is a diterpene lactone (CHEBI:49193)
IUPAC Name
[(1S,3R)-3-[(3E,7E)-9-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyl-4-methylidenecyclohexyl] acetate
Synonym Source
sartorypyrone A UniProt
Manual Xref Database
29784912 ChemSpider
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Last Modified
29 July 2024