CHEBI:199343 - 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 Phomol
ChEBI ID CHEBI:199343
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O7
Net Charge 0
Average Mass 412.523
Monoisotopic Mass 412.24610
InChI InChI=1S/C22H36O7/c1-5-7-8-9-19-21(29-22(27)15(4)12-14(3)6-2)17(24)11-10-16(23)18(25)13-20(26)28-19/h10-12,14,16-19,21,23-25H,5-9,13H2,1-4H3/b11-10+,15-12+
InChIKey IRLIXJLJAAXRFK-GCHFJXRNSA-N
SMILES O=C1OC(C(OC(=O)/C(=C/C(CC)C)/C)C(O)C=CC(C(C1)O)O)CCCCC
Metabolite of Species Details
Phomopsis (NCBI:txid34399) See: PubMed
Phoma (NCBI:txid37463) See: PubMed
ChEBI Ontology
Outgoing Phomol (CHEBI:199343) is a oxacycle (CHEBI:38104)
IUPAC Names
(3'R,4S)-3',8-dihydroxyspiro[2,3-dihydronaphthalene-4,5'-oxolane]-1,2'-dione
[(5E)-4,7,8-trihydroxy-10-oxo-2-pentyl-2,3,4,7,8,9-hexahydrooxecin-3-yl] (E)-2,4-dimethylhex-2-enoate
Manual Xrefs Databases
78441811 ChemSpider
8629778 ChemSpider
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