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CHEBI:228933 - (3E,7E)-2alpha,10beta-Diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one

ChEBI IDCHEBI:228933
ChEBI Name(3E,7E)-2alpha,10beta-Diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O8
Net Charge0
Average Mass450.528
Monoisotopic Mass450.22537
SMILES[H][C@]12C[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)/C(C)=C/C[C@H](O)/C(CO)=C\[C@@H]1OC(C)=O)C2(C)C
InChIInChI=1S/C24H34O8/c1-12-7-8-18(28)16(11-25)9-20(31-14(3)26)17-10-19(29)13(2)21(24(17,5)6)23(22(12)30)32-15(4)27/h7,9,17-20,23,25,28-29H,8,10-11H2,1-6H3/b12-7+,16-9-/t17-,18-,19-,20-,23+/m0/s1
InChIKeyHHYWWQLZKXSUFQ-BAQFVPLCSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
(3E,7E)-2alpha,10beta-Diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one (CHEBI:228933) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2S,3Z,5S,7E,10R,13S)-10-acetyloxy-5,13-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxo-2-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] acetate
Manual XrefsDatabases
9012562ChemSpider