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CHEBI:213551 - Asperversin B

Default Structure
ChEBI IDCHEBI:213551
ChEBI NameAsperversin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O8
Net Charge0
Average Mass434.485
Monoisotopic Mass434.19407
SMILESCC(=O)O[C@@H]1C[C@@]2(C)Oc3cc(C)oc(=O)c3C[C@@H]2[C@@]2(C)[C@H](CC(=O)O)OC(C)(C)[C@H]12
InChIInChI=1S/C23H30O8/c1-11-7-14-13(20(27)28-11)8-16-22(5,30-14)10-15(29-12(2)24)19-21(3,4)31-17(9-18(25)26)23(16,19)6/h7,15-17,19H,8-10H2,1-6H3,(H,25,26)/t15-,16+,17+,19+,22-,23+/m1/s1
InChIKeySROITTFLAOXWQV-WTCMJECPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (29882867)
ChEBI Ontology
Outgoing Relation(s)
Asperversin B (CHEBI:213551) is a pyranone (CHEBI:37963)
IUPAC Name 
2-[(1R,10R,11R,12S,15S,16R)-16-acetyloxy-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4-dien-12-yl]acetic acid
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71049002ChemSpider