CHEBI:208041 - 4-acetylpyrenophorol

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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 4-acetylpyrenophorol
ChEBI ID CHEBI:208041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H26O7
Net Charge 0
Average Mass 354.399
Monoisotopic Mass 354.16785
InChI InChI=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
InChIKey SYANJCUSPRVNHZ-QOXGVPRHSA-N
SMILES O=C1O[C@@H](CC[C@H](O)C=CC(=O)O[C@@H](CC[C@@H](C=C1)OC(=O)C)C)C
Metabolite of Species Details
Phomaspecies (NCBI:txid1707701) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78437350 ChemSpider
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