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CHEBI:169141 - Plantaricin BN

ChEBI IDCHEBI:169141
ChEBI NamePlantaricin BN
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O10
Net Charge0
Average Mass484.542
Monoisotopic Mass484.23085
SMILESO=C(O)CCC1(CCC(=O)O)CCCCCCCCC(CCC(=O)O)(CCC(=O)O)C(=O)C1=O
InChIInChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyZPAOCLAKRURAOZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Plantaricin BN (CHEBI:169141) has functional parent tetracarboxylic acid (CHEBI:35742)
Plantaricin BN (CHEBI:169141) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[1,4,4-tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid
Manual XrefsDatabases
HMDB0038238HMDB
337548ChemSpider