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CHEBI:223725 - Coniothyrenol

ChEBI IDCHEBI:223725
ChEBI NameConiothyrenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESC=C1[C@@H](O)[C@H]2O[C@]3(C)[C@H](O)C[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@]2(O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H36O6/c1-11-15(24)17(26)22(27)10-13-20(4)8-6-7-19(2,3)12(20)9-14(23)21(13,5)28-18(22)16(11)25/h12-18,23-27H,1,6-10H2,2-5H3/t12-,13+,14+,15-,16+,17+,18+,20-,21-,22+/m0/s1
InChIKeyPSCOWRGKNBHDKG-QEQGRUKNSA-N
Species of MetaboliteComponentSourceComments
Coniothyrium (ncbitaxon:78388) - DOI (10.1002/ejoc.200600987)
ChEBI Ontology
Outgoing Relation(s)
Coniothyrenol (CHEBI:223725) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(4aS,6R,6aS,7aR,8R,10S,11R,11aR,12aR,12bS)-4,4,6a,12b-tetramethyl-9-methylidene-1,2,3,4a,5,6,7a,8,10,11,12,12a-dodecahydronaphtho[2,1-b]chromene-6,8,10,11,11a-pentol
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17588953ChemSpider