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CHEBI:211111 - Atranone O

Default Structure
ChEBI IDCHEBI:211111
ChEBI NameAtranone O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O8
Net Charge0
Average Mass478.582
Monoisotopic Mass478.25667
SMILESCOC(=O)C[C@@H]1C(=O)[C@H](C)CC[C@@]2(C)OC(=O)C(OC)=C(C(C)C)[C@@H]2C/C=C(/C)[C@H]1OC(C)=O
InChIInChI=1S/C26H38O8/c1-14(2)21-19-10-9-16(4)23(33-17(5)27)18(13-20(28)31-7)22(29)15(3)11-12-26(19,6)34-25(30)24(21)32-8/h9,14-15,18-19,23H,10-13H2,1-8H3/b16-9-/t15-,18-,19+,23-,26-/m1/s1
InChIKeyAGENWZPQZJGIGC-MDNHDUGKSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tet.2017.11.006)
ChEBI Ontology
Outgoing Relation(s)
Atranone O (CHEBI:211111) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl 2-[(1S,3Z,5S,6S,8R,11R)-5-acetyloxy-14-methoxy-4,8,11-trimethyl-7,13-dioxo-15-propan-2-yl-12-oxabicyclo[9.4.0]pentadeca-3,14-dien-6-yl]acetate
Manual XrefsDatabases
63002489ChemSpider