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CHEBI:220900 - Phomopsidin MK8383

ChEBI IDCHEBI:220900
ChEBI NamePhomopsidin MK8383
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILESC/C=C(/C)[C@@H]1C(C)=C[C@@H]2[C@H]([C@@H]1/C=C/C=C/C(=O)O)[C@@H](C)CC[C@@H]2O
InChIInChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5-/t14-,16+,17-,18-,20+,21-/m0/s1
InChIKeyKNDPLJZJPQWOMQ-QQRYIYRTSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (9402999)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phomopsidin MK8383 (CHEBI:220900) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E)-5-[(1S,2R,4aS,5S,8S,8aS)-2-[(Z)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Manual XrefsDatabases
78437669ChemSpider