CHEBI:81465 - 5-deoxystrigol ABC-rings

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ChEBI Name 5-deoxystrigol ABC-rings
ChEBI ID CHEBI:81465
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H18O3
Net Charge 0
Average Mass 234.295
Monoisotopic Mass 234.12559
InChI InChI=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
InChIKey UTOQMVIHBGIRGU-DTHKZTQTSA-N
SMILES [H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O)C(C)(C)CCC3
ChEBI Ontology
Outgoing 5-deoxystrigol ABC-rings (CHEBI:81465) is a γ-lactone (CHEBI:37581)
5-deoxystrigol ABC-rings (CHEBI:81465) is a enol (CHEBI:33823)
5-deoxystrigol ABC-rings (CHEBI:81465) is a indenofuran (CHEBI:149453)
Incoming 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
Synonyms Sources
5-deoxystrigol ABC-rings UniProt
strigolactone ABC-rings KEGG COMPOUND
Manual Xref Database
C18036 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
34659308 PubMed citation Europe PMC
34764442 PubMed citation Europe PMC
Last Modified
31 January 2024