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CHEBI:229112 - Erectquione C

ChEBI IDCHEBI:229112
ChEBI NameErectquione C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILES[H][C@]12C[C@@](C)(CC[C@]1([H])C(C)(C)O)OC1=C2C(=O)C(CC=C(C)C)=C(OC(=O)C(C)C)C1=O
InChIInChI=1S/C25H34O6/c1-13(2)8-9-15-19(26)18-16-12-25(7,11-10-17(16)24(5,6)29)31-22(18)20(27)21(15)30-23(28)14(3)4/h8,14,16-17,29H,9-12H2,1-7H3/t16-,17-,25+/m0/s1
InChIKeyJTTNQUCEWDQPMF-XOWTYJCDSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Erectquione C (CHEBI:229112) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[(1S,9R,12S)-12-(2-hydroxypropan-2-yl)-9-methyl-4-(3-methylbut-2-enyl)-3,6-dioxo-8-oxatricyclo[7.3.1.02,7]trideca-2(7),4-dien-5-yl] 2-methylpropanoate
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4476068ChemSpider