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CHEBI:206866 - Skeletocutin I

ChEBI IDCHEBI:206866
ChEBI NameSkeletocutin I
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SubmitterMetaboLights
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FormulaC28H42O9
Net Charge0
Average Mass522.635
Monoisotopic Mass522.28288
SMILESCOC(=O)/C(CC(=O)O)=C(\CCCCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O)C(=O)O
InChIInChI=1S/C28H42O9/c1-20-21(28(35)37-26(20)33)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22(25(31)32)23(19-24(29)30)27(34)36-2/h3-19H2,1-2H3,(H,29,30)(H,31,32)/b23-22+
InChIKeyCEHIEDLEARJTCQ-GHVJWSGMSA-N
Species of MetaboliteComponentSourceComments
Skeletocutisspecies (ncbitaxon:2028179) - PubMed (31310114)
ChEBI Ontology
Outgoing Relation(s)
Skeletocutin I (CHEBI:206866) has functional parent hexacarboxylic acid (CHEBI:59359)
Skeletocutin I (CHEBI:206866) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(E)-3-methoxycarbonyl-2-[16-(4-methyl-2,5-dioxouran-3-yl)hexadecyl]pent-2-enedioic acid