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CHEBI:204280 - Cytosporin C

ChEBI IDCHEBI:204280
ChEBI NameCytosporin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCCCCCC1=C(C=O)[C@H]2OC(C)(C)[C@H](O)CC23O[C@@H]3[C@H]1O
InChIInChI=1S/C17H26O5/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/h9,12-15,19-20H,4-8H2,1-3H3/t12-,13+,14-,15-,17?/m1/s1
InChIKeyHTCLXJMGGBVISX-JPEUKKKJSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (8621349)
Cytospora (ncbitaxon:117544) - PubMed (30758363)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin C (CHEBI:204280) is a oxanes (CHEBI:46942)
IUPAC Names 
(1aR,2S,4aR,7R)-2,7-dihydroxy-6,6-dimethyl-3-pentyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromene-4-carbaldehyde
(3R)-7-[(S)-(2,6-dihydroxyphenyl)-hydroxymethyl]-2,2,10-trimethyl-4,6-dihydro-3H-1,5-benzodioxocine-3,8-diol
Manual XrefsDatabases
78437114ChemSpider