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CHEBI:168592 - Carindone

ChEBI IDCHEBI:168592
ChEBI NameCarindone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O6
Net Charge0
Average Mass512.687
Monoisotopic Mass512.31379
SMILESCC1=C2CC(C(C)(C)O)CCC2(C)CC2(OC3C(C(=O)C(C)=C4CC(C(C)(C)O)CCC43C)C2=O)C1=O
InChIInChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3
InChIKeySKUVBRVOKSCXDJ-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)
Carindone (CHEBI:168592) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
7,7'-bis(2-hydroxypropan-2-yl)-1',4'a,5,9a-tetramethylspiro[3a,6,7,8,9,9b-hexahydrobenzo[g][1]benzouran-2,3'-5,6,7,8-tetrahydro-4H-naphthalene]-2',3,4-trione
Manual XrefsDatabases
35014529ChemSpider
HMDB0038189HMDB