Pestalotioprolide E (CHEBI:205823)

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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	Pestalotioprolide E

ChEBI ID	CHEBI:205823

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20O4

Net Charge

Average Mass

252.310

Monoisotopic Mass

252.13616

InChI

InChI=1S/C14H20O4/c1-11-5-4-8-12(15)6-2-3-7-13(16)9-10-14(17)18-11/h2-3,6-7,9-13,15-16H,4-5,8H2,1H3/b6-2+,7-3-,10-9+/t11-,12-,13-/m0/s1

InChIKey

VQQVCJCMQFXIEN-OPTSKOLRSA-N

SMILES

O=C1O[C@H](CCC[C@@H](O)C=CC=C[C@@H](C=C1)O)C

Metabolite of Species	Details
Pestalotiopsis microspora (NCBI:txid85828)	See: PubMed

ChEBI Ontology
Outgoing	Pestalotioprolide E (CHEBI:205823) is a macrolide (CHEBI:25106)

IUPAC Name

(3E,5S,6Z,8E,10R,14S)-5,10-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,8-trien-2-one