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CHEBI:208041 - 4-acetylpyrenophorol

ChEBI IDCHEBI:208041
ChEBI Name4-acetylpyrenophorol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O7
Net Charge0
Average Mass354.399
Monoisotopic Mass354.16785
SMILESCC(=O)O[C@@H]1/C=C\C(=O)O[C@H](C)CC[C@H](O)/C=C\C(=O)O[C@H](C)CC1
InChIInChI=1S/C18H26O7/c1-12-4-6-15(20)7-10-17(21)24-13(2)5-8-16(25-14(3)19)9-11-18(22)23-12/h7,9-13,15-16,20H,4-6,8H2,1-3H3/b10-7-,11-9-/t12-,13-,15+,16+/m1/s1
InChIKeySYANJCUSPRVNHZ-QOXGVPRHSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - DOI (10.1002/ejoc.200800404)
ChEBI Ontology
Outgoing Relation(s)
4-acetylpyrenophorol (CHEBI:208041) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,5S,6Z,10R,13S,14Z)-13-hydroxy-2,10-dimethyl-8,16-dioxo-1,9-dioxacyclohexadeca-6,14-dien-5-yl] acetate
Manual XrefsDatabases
78437350ChemSpider