CHEBI:216875 - Acaulone B

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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 Acaulone B
ChEBI ID CHEBI:216875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O7
Net Charge 0
Average Mass 364.394
Monoisotopic Mass 364.15220
InChI InChI=1S/C19H24O7/c1-10-8-13(20)9-14-18(10)16(22)5-4-11(2)25-17(23)7-6-15(21)12(3)26-19(14)24/h6-8,11-12,14-15,18,21H,4-5,9H2,1-3H3/b7-6+/t11-,12-,14-,15+,18-/m0/s1
InChIKey XNLJWOTZIXOLJQ-KVHQKDPHSA-N
SMILES O=C1O[C@H](CCC(=O)[C@H]2C(=CC(=O)C[C@@H]2C(O[C@H]([C@@H](C=C1)O)C)=O)C)C
Metabolite of Species Details
Acaulium (NCBI:txid1960041) See: PubMed
ChEBI Ontology
Outgoing Acaulone B (CHEBI:216875) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,4S,5R,6E,10S,14R)-5-hydroxy-4,10,15-trimethyl-3,9-dioxabicyclo[12.4.0]octadeca-6,15-diene-2,8,13,17-tetrone
Manual Xref Database
78439892 ChemSpider
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