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CHEBI:214210 - Atranone U

ChEBI IDCHEBI:214210
ChEBI NameAtranone U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCO[C@]1(C)O[C@H]2/C(C)=C\CC3=C(C(C)C)[C@@H](O)C(=O)O[C@@]3(C)CC/C(C)=C3/OC(=O)[C@H]1[C@@H]32
InChIInChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)21-17-18(25(6,29-7)31-21)22(27)30-20(17)14(4)10-11-24(15,5)32-23(28)19(16)26/h8,12,17-19,21,26H,9-11H2,1-7H3/b13-8-,20-14+/t17-,18+,19+,21-,24-,25+/m0/s1
InChIKeyLBVYUHJRJXOILU-OBJWMTDSSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (32950600)
ChEBI Ontology
Outgoing Relation(s)
Atranone U (CHEBI:214210) is a furofuran (CHEBI:47790)
IUPAC Name 
(1E,5S,8R,12Z,14R,16R,17S,20R)-8-hydroxy-16-methoxy-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