CHEBI:203242 - Phomalactone deriv. II

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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 Phomalactone deriv. II
ChEBI ID CHEBI:203242
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O6
Net Charge 0
Average Mass 390.476
Monoisotopic Mass 390.20424
InChI InChI=1S/C22H30O6/c1-4-5-6-7-8-16(2)15-17(3)9-13-21(25)28-19-11-14-22(26)27-18(19)10-12-20(23)24/h9-16,18-19H,4-8H2,1-3H3,(H,23,24)/b12-10+,13-9+,17-15+/t16?,18-,19-/m0/s1
InChIKey SZTWZPUAGRSHIP-MVUYCZRSSA-N
SMILES O=C1O[C@@H](/C=C/C(=O)O)[C@@H](OC(=O)/C=C/C(=C/C(CCCCCC)C)/C)C=C1
Metabolite of Species Details
Phomopsisspecies (NCBI:txid1715245) See: PubMed
ChEBI Ontology
Outgoing Phomalactone deriv. II (CHEBI:203242) is a carbonyl compound (CHEBI:36586)
IUPAC Name
(E)-3-[(2S,3S)-3-[(2E,4E)-4,6-dimethyldodeca-2,4-dienoyl]oxy-6-oxo-2,3-dihydropyran-2-yl]prop-2-enoic acid
Manual Xref Database
78436982 ChemSpider
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