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CHEBI:211124 - 22-epi-methylatranone B

ChEBI IDCHEBI:211124
ChEBI Name22-epi-methylatranone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O7
Net Charge0
Average Mass460.567
Monoisotopic Mass460.24610
SMILESCOC1=C(C(C)C)[C@@H]2C/C=C(/C)[C@H]3O[C@@](C)(OC)[C@@H]4C(=O)O/C(=C(\C)CC[C@@]2(C)OC1=O)[C@H]34
InChIInChI=1S/C26H36O7/c1-13(2)17-16-10-9-14(3)21-18-19(26(6,30-8)32-21)23(27)31-20(18)15(4)11-12-25(16,5)33-24(28)22(17)29-7/h9,13,16,18-19,21H,10-12H2,1-8H3/b14-9-,20-15+/t16-,18+,19-,21+,25+,26+/m0/s1
InChIKeyQENNRKFMCLCAJM-QMEHOINASA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tet.2017.11.006)
ChEBI Ontology
Outgoing Relation(s)
22-epi-methylatranone B (CHEBI:211124) is a furofuran (CHEBI:47790)
IUPAC Name 
(1E,5R,10S,12Z,14S,16R,17R,20S)-8,16-dimethoxy-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
63002491ChemSpider