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CHEBI:211104 - Atranone N

ChEBI IDCHEBI:211104
ChEBI NameAtranone N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O7
Net Charge0
Average Mass462.583
Monoisotopic Mass462.26175
SMILESCOC(=O)[C@@H]1[C@@H]2C(=O)[C@H](C)CC[C@@]3(C)OC(=O)C(OC)=C(C(C)C)[C@@H]3C/C=C(/C)[C@H]2O[C@H]1C
InChIInChI=1S/C26H38O7/c1-13(2)18-17-10-9-15(4)22-20(19(16(5)32-22)24(28)31-8)21(27)14(3)11-12-26(17,6)33-25(29)23(18)30-7/h9,13-14,16-17,19-20,22H,10-12H2,1-8H3/b15-9-/t14-,16+,17+,19+,20-,22-,26-/m1/s1
InChIKeyLSTJWLLNXDOMDA-HQJBUUCBSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tet.2017.11.006)
ChEBI Ontology
Outgoing Relation(s)
Atranone N (CHEBI:211104) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl (1S,3Z,5S,7S,8R,9S,11R,14R)-17-methoxy-4,7,11,14-tetramethyl-10,16-dioxo-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-8-carboxylate
Manual XrefsDatabases
63002488ChemSpider