EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214205 - Atranone T

ChEBI IDCHEBI:214205
ChEBI NameAtranone T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILESC/C1=C/CC2=C(C(C)C)[C@@H](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/h7,11,16-18,20,25,28H,8-10H2,1-6H3/b12-7-,19-13+/t16-,17+,18+,20-,23-,24+/m0/s1
InChIKeyDFLCYRFBJXEXHF-CVDOKQQPSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (32950600)
ChEBI Ontology
Outgoing Relation(s)
Atranone T (CHEBI:214205) is a furofuran (CHEBI:47790)
IUPAC Name 
(1E,5S,8R,12Z,14R,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-1,9,12-triene-7,18-dione