CHEBI:207564 - 5,6-Epoxy-phomol

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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 5,6-Epoxy-phomol
ChEBI ID CHEBI:207564
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O8
Net Charge 0
Average Mass 428.522
Monoisotopic Mass 428.24102
InChI InChI=1S/C22H36O8/c1-5-7-8-9-15-19(30-22(27)13(4)10-12(3)6-2)18(26)21-20(29-21)17(25)14(23)11-16(24)28-15/h10,12,14-15,17-21,23,25-26H,5-9,11H2,1-4H3/b13-10+/t12?,14-,15-,17+,18-,19-,20-,21-/m1/s1
InChIKey CIIIGIPXHNTRJG-OLIGEFEQSA-N
SMILES O=C1O[C@@H]([C@@H](OC(=O)/C(=C/C(CC)C)/C)[C@@H](O)[C@@H]2[C@@H]([C@H]([C@@H](C1)O)O)O2)CCCCC
Metabolite of Species Details
Hypoxylon fuscum (NCBI:txid109372) See: PubMed
ChEBI Ontology
Outgoing 5,6-Epoxy-phomol (CHEBI:207564) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[(1R,2S,3S,4R,8R,9S,10R)-2,8,9-trihydroxy-6-oxo-4-pentyl-5,11-dioxabicyclo[8.1.0]undecan-3-yl] (E)-2,4-dimethylhex-2-enoate