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CHEBI:216870 - Acaulone A

ChEBI IDCHEBI:216870
ChEBI NameAcaulone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O7
Net Charge0
Average Mass366.410
Monoisotopic Mass366.16785
SMILESC/C=C/C(=O)C[C@H]1CC(=O)CC[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)OC1=O
InChIInChI=1S/C19H26O7/c1-4-5-15(20)10-14-11-16(21)7-6-12(2)25-18(23)9-8-17(22)13(3)26-19(14)24/h4-5,8-9,12-14,17,22H,6-7,10-11H2,1-3H3/b5-4+,9-8+/t12-,13-,14-,17+/m0/s1
InChIKeyLRAXUQXIMIPJFQ-VLHNBJBQSA-N
Species of MetaboliteComponentSourceComments
Acaulium (ncbitaxon:1960041) - PubMed (29376657)
ChEBI Ontology
Outgoing Relation(s)
Acaulone A (CHEBI:216870) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5R,6S,9R,14S)-5-hydroxy-6,14-dimethyl-9-[(E)-2-oxopent-3-enyl]-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
Manual XrefsDatabases
78439891ChemSpider