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CHEBI:198540 - Atranone E

ChEBI IDCHEBI:198540
ChEBI NameAtranone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O4
Net Charge0
Average Mass386.532
Monoisotopic Mass386.24571
SMILESC/C1=C\[C@@H]2/C(=C(/C)CC[C@]3(C)C(=O)C=C(C(C)C)[C@H]3CC1)OC(=O)[C@@H]2[C@H](C)O
InChIInChI=1S/C24H34O4/c1-13(2)17-12-20(26)24(6)10-9-15(4)22-18(11-14(3)7-8-19(17)24)21(16(5)25)23(27)28-22/h11-13,16,18-19,21,25H,7-10H2,1-6H3/b14-11+,22-15+/t16-,18-,19+,21+,24-/m0/s1
InChIKeyCCMBGMOYVQDEBC-VXRPFWOCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/s0031-9422(00)00231-4)
ChEBI Ontology
Outgoing Relation(s)
Atranone E (CHEBI:198540) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1S,4E,8S,9S,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
Manual XrefsDatabases
78440013ChemSpider