CHEBI:195257 - orobanchol ABC-rings

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ChEBI Name orobanchol ABC-rings
ChEBI ID CHEBI:195257
Definition An indenofuran that is (3aS,8bR)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan substituted by oxo, hydroxymethylidene, hydroxy, methyl, and methyl groups at positions 2, 3, 4, 8, and 8, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elisabeth COUDERT
Supplier Information
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Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=1S/C14H18O4/c1-14(2)5-3-4-7-10(14)12-9(11(7)16)8(6-15)13(17)18-12/h6,9,11-12,15-16H,3-5H2,1-2H3/b8-6+/t9-,11+,12-/m1/s1
InChIKey RRADQMRHCHUZBZ-BTRAOZKXSA-N
SMILES [H][C@@]12OC(=O)\C(=C\O)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1
ChEBI Ontology
Outgoing orobanchol ABC-rings (CHEBI:195257) is a γ-lactone (CHEBI:37581)
orobanchol ABC-rings (CHEBI:195257) is a enol (CHEBI:33823)
orobanchol ABC-rings (CHEBI:195257) is a indenofuran (CHEBI:149453)
orobanchol ABC-rings (CHEBI:195257) is a secondary alcohol (CHEBI:35681)
Incoming orobanchol (CHEBI:195254) has functional parent orobanchol ABC-rings (CHEBI:195257)
IUPAC Name
(3E,3aR,4R,8bR)-4-hydroxy-3-(hydroxymethylidene)-8,8-dimethyl-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one
Synonym Source
orobanchol ABC-rings UniProt
Citation Waiting for Citations Type Source
34764442 PubMed citation SUBMITTER
Last Modified
04 July 2023