CHEBI:205811 - 7-O-methylnigrosporolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 7-O-methylnigrosporolide
ChEBI ID CHEBI:205811
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O4
Net Charge 0
Average Mass 266.337
Monoisotopic Mass 266.15181
InChI InChI=1S/C15H22O4/c1-12-6-4-3-5-7-14(18-2)10-8-13(16)9-11-15(17)19-12/h5,7-14,16H,3-4,6H2,1-2H3/b7-5-,10-8?,11-9+/t12-,13-,14-/m0/s1
InChIKey HOWTUCZWGVMBAL-IKXQICCMSA-N
SMILES O=C1O[C@H](CCCC=C[C@@H](C=C[C@@H](C=C1)O)OC)C
Metabolite of Species Details
Pestalotiopsis microspora (NCBI:txid85828) See: PubMed
ChEBI Ontology
Outgoing 7-O-methylnigrosporolide (CHEBI:205811) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5S,8S,9Z,14S)-5-hydroxy-8-methoxy-14-methyl-1-oxacyclotetradeca-3,6,9-trien-2-one