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CHEBI:211963 - Skeletocutin Q

ChEBI IDCHEBI:211963
ChEBI NameSkeletocutin Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O9
Net Charge0
Average Mass538.678
Monoisotopic Mass538.31418
SMILESCC1=C(CCCCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)C(=O)O)C(=O)OC1=O
InChIInChI=1S/C29H46O9/c1-21-22(29(37)38-28(21)36)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-23(26(32)33)24(27(34)35)20-25(30)31/h23-24H,2-20H2,1H3,(H,30,31)(H,32,33)(H,34,35)
InChIKeySSSBQGMZIPAJTB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Skeletocutisspecies (ncbitaxon:2028179) - PubMed (31807212)
ChEBI Ontology
Outgoing Relation(s)
Skeletocutin Q (CHEBI:211963) has functional parent hexacarboxylic acid (CHEBI:59359)
Skeletocutin Q (CHEBI:211963) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
21-(4-methyl-2,5-dioxouran-3-yl)henicosane-1,2,3-tricarboxylic acid