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CHEBI:81465 - 5-deoxystrigol ABC-rings

ChEBI IDCHEBI:81465
ChEBI Name5-deoxystrigol ABC-rings
Stars
DefinitionAn indenofuran that is (3aR,8bS)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan substituted by oxo, hydroxymethylidene, methyl, and methyl groups at positions 2, 3, 8, and 8, respectively.
Last Modified31 January 2024
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILES[H][C@]12OC(=O)/C(=C/O)[C@@]1([H])CC1=C2C(C)(C)CCC1
InChIInChI=1S/C14H18O3/c1-14(2)5-3-4-8-6-9-10(7-15)13(16)17-12(9)11(8)14/h7,9,12,15H,3-6H2,1-2H3/b10-7+/t9-,12+/m1/s1
InChIKeyUTOQMVIHBGIRGU-DTHKZTQTSA-N
ChEBI Ontology
Outgoing Relation(s)
5-deoxystrigol ABC-rings (CHEBI:81465) is a enol (CHEBI:33823)
5-deoxystrigol ABC-rings (CHEBI:81465) is a indenofuran (CHEBI:149453)
5-deoxystrigol ABC-rings (CHEBI:81465) is a γ-lactone (CHEBI:37581)
Incoming Relation(s)
5-deoxystrigol (CHEBI:81466) has functional parent 5-deoxystrigol ABC-rings (CHEBI:81465)
IUPAC Name 
(3E,3aR,8bS)-3-(hydroxymethylidene)-8,8-dimethyl-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one
Synonym  Source
strigolactone ABC-ringsKEGG COMPOUND
UniProt Name  Source
5-deoxystrigol ABC-ringsUniProt
Manual XrefsDatabases
C18036KEGG COMPOUND
Citations