CHEBI:219665 - Pestalotiopyrolide B

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ChEBI Name Pestalotiopyrolide B
ChEBI ID CHEBI:219665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O5
Net Charge 0
Average Mass 268.309
Monoisotopic Mass 268.13107
InChI InChI=1S/C14H20O5/c1-9-5-3-2-4-6-10(15)13-14(19-13)11(16)7-8-12(17)18-9/h4,6-11,13-16H,2-3,5H2,1H3/b6-4+,8-7?/t9-,10+,11-,13+,14-/m0/s1
InChIKey IZTMFEJNMBMWKQ-JAWHCXNKSA-N
SMILES O=C1O[C@H](CCCC=C[C@H]([C@@H]2[C@H]([C@H](C=C1)O)O2)O)C
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: DOI
ChEBI Ontology
Outgoing Pestalotiopyrolide B (CHEBI:219665) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2S,7S,11E,13R,14R)-2,13-dihydroxy-7-methyl-6,15-dioxabicyclo[12.1.0]pentadeca-3,11-dien-5-one