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CHEBI:211117 - Atranone P

ChEBI IDCHEBI:211117
ChEBI NameAtranone P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O6
Net Charge0
Average Mass404.503
Monoisotopic Mass404.21989
SMILESCOC1=C(C(C)C)[C@@H]2C/C=C(/C)[C@H]3OC(=O)C[C@@H]3C(=O)[C@H](C)CC[C@@]2(C)OC1=O
InChIInChI=1S/C23H32O6/c1-12(2)18-16-8-7-14(4)20-15(11-17(24)28-20)19(25)13(3)9-10-23(16,5)29-22(26)21(18)27-6/h7,12-13,15-16,20H,8-11H2,1-6H3/b14-7-/t13-,15-,16+,20-,23-/m1/s1
InChIKeyLDNGIXCVOPOZFN-LWEBIHICSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tet.2017.11.006)
ChEBI Ontology
Outgoing Relation(s)
Atranone P (CHEBI:211117) is a pyranone (CHEBI:37963)
IUPAC Name 
(1S,3Z,5S,9S,11R,14R)-17-methoxy-4,11,14-trimethyl-18-propan-2-yl-6,15-dioxatricyclo[12.4.0.05,9]octadeca-3,17-diene-7,10,16-trione
Manual XrefsDatabases
63002490ChemSpider