CHEBI:219671 - Pestalotiopyrolide A

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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 Pestalotiopyrolide A
ChEBI ID CHEBI:219671
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22O6
Net Charge 0
Average Mass 286.324
Monoisotopic Mass 286.14164
InChI InChI=1S/C14H22O6/c1-9-5-3-2-4-6-10(15)13(18)14(19)11(16)7-8-12(17)20-9/h4,6-11,13-16,18-19H,2-3,5H2,1H3/b6-4-,8-7+/t9-,10-,11+,13?,14?/m0/s1
InChIKey ZNOJFQLCZXJAPX-HVDGXHEASA-N
SMILES O=C1O[C@H](CCCC=C[C@@H](C(C([C@@H](C=C1)O)O)O)O)C
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: DOI
ChEBI Ontology
Outgoing Pestalotiopyrolide A (CHEBI:219671) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5R,8S,9Z,14S)-5,6,7,8-tetrahydroxy-14-methyl-1-oxacyclotetradeca-3,9-dien-2-one