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CHEBI:215100 - Atranone I

ChEBI IDCHEBI:215100
ChEBI NameAtranone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILESC/C1=C/C[C@@H]2C(C(C)C)=C(O)C(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@@H]1O[C@@]3(C)O
InChIInChI=1S/C24H32O7/c1-11(2)15-14-8-7-12(3)20-16-17(24(6,28)30-20)21(26)29-19(16)13(4)9-10-23(14,5)31-22(27)18(15)25/h7,11,14,16-17,20,25,28H,8-10H2,1-6H3/b12-7-,19-13+/t14-,16+,17-,20-,23+,24-/m1/s1
InChIKeyZYNQCKBOMKMPRM-BDPDRGBDSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1002/mrc.1186)
ChEBI Ontology
Outgoing Relation(s)
Atranone I (CHEBI:215100) is a furofuran (CHEBI:47790)
IUPAC Name 
(1E,5S,10R,12Z,14S,16R,17S,20R)-8,16-dihydroxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione
Manual XrefsDatabases
10208399ChemSpider