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CHEBI:207816 - Cytosporin A

ChEBI IDCHEBI:207816
ChEBI NameCytosporin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCCCCCC1=C(C=O)[C@H]2OC(C)(C)[C@H](O)CC23O[C@@H]3C1=O
InChIInChI=1S/C17H24O5/c1-4-5-6-7-10-11(9-18)14-17(15(22-17)13(10)20)8-12(19)16(2,3)21-14/h9,12,14-15,19H,4-8H2,1-3H3/t12-,14-,15-,17?/m1/s1
InChIKeyODZUPGUSIOTTSS-UBEPTHPKSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (8621349)
Cytospora (ncbitaxon:117544) - PubMed (30758363)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin A (CHEBI:207816) is a cyclohexenones (CHEBI:48953)
IUPAC Names 
(1aS,4aR,7R)-7-hydroxy-6,6-dimethyl-2-oxo-3-pentyl-1a,4a,7,8-tetrahydrooxireno[2,3-e]chromene-4-carbaldehyde
(2,6-dihydroxyphenyl)-[(3R)-3,8-dihydroxy-2,2,10-trimethyl-4,6-dihydro-3H-1,5-benzodioxocin-7-yl]methanone
Manual XrefsDatabases
78437342ChemSpider