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CHEBI:224443 - Stachatranone B

ChEBI IDCHEBI:224443
ChEBI NameStachatranone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC/C1=C\[C@H](O)C[C@]2(C)O[C@H]2C[C@@]2(C)OC(=O)C=C(C(C)C)[C@@H]2CC1
InChIInChI=1S/C20H30O4/c1-12(2)15-9-18(22)24-19(4)11-17-20(5,23-17)10-14(21)8-13(3)6-7-16(15)19/h8-9,12,14,16-17,21H,6-7,10-11H2,1-5H3/b13-8+/t14-,16-,17-,19+,20-/m0/s1
InChIKeyNXBRRXHEXDQCED-GDRNCROPSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (31265296)
ChEBI Ontology
Outgoing Relation(s)
Stachatranone B (CHEBI:224443) is a pyranone (CHEBI:37963)
IUPAC Name 
(1R,3S,5S,7R,8E,12S)-7-hydroxy-1,5,9-trimethyl-13-propan-2-yl-4,16-dioxatricyclo[10.4.0.03,5]hexadeca-8,13-dien-15-one
Manual XrefsDatabases
77089188ChemSpider