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CHEBI:211274 - Tenllone I

ChEBI IDCHEBI:211274
ChEBI NameTenllone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCc1ccc(O)c2c1C(=O)c1c(c(C)cc3c1O[C@@H](C(C)(C)O)CO3)OC2
InChIInChI=1S/C25H28O6/c1-13(2)6-7-15-8-9-17(26)16-11-30-23-14(3)10-18-24(21(23)22(27)20(15)16)31-19(12-29-18)25(4,5)28/h6,8-10,19,26,28H,7,11-12H2,1-5H3/t19-/m1/s1
InChIKeyREUMTLWYRYSHJD-LJQANCHMSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (31284016)
ChEBI Ontology
Outgoing Relation(s)
Tenllone I (CHEBI:211274) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(2R)-9-hydroxy-2-(2-hydroxypropan-2-yl)-6-methyl-12-(3-methylbut-2-enyl)-3,8-dihydro-2H-[1,4]benzodioxino[7,8-c][2]benzoxepin-13-one