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CHEBI:219708 - Cytosporin B

ChEBI IDCHEBI:219708
ChEBI NameCytosporin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27ClO5
Net Charge0
Average Mass346.851
Monoisotopic Mass346.15470
SMILESCCCCCC1=C(C=O)[C@H]2OC(C)(C)[C@H](O)C[C@@]2(O)[C@H](Cl)[C@H]1O
InChIInChI=1S/C17H27ClO5/c1-4-5-6-7-10-11(9-19)15-17(22,14(18)13(10)21)8-12(20)16(2,3)23-15/h9,12-15,20-22H,4-8H2,1-3H3/t12-,13+,14-,15-,17-/m1/s1
InChIKeyYSYMCIKNYHKBHZ-JRBZFYFNSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (8621349)
Cytospora (ncbitaxon:117544) - PubMed (30758363)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin B (CHEBI:219708) is a benzopyran (CHEBI:22727)
IUPAC Names 
(3R,4aS,5R,6S,8aR)-5-chloro-3,4a,6-trihydroxy-2,2-dimethyl-7-pentyl-4,5,6,8a-tetrahydro-3H-chromene-8-carbaldehyde
(3R)-6-(2,6-dihydroxybenzoyl)-7-hydroxy-3-(hydroxymethyl)-2,2,9-trimethyl-3H-1,4-benzodioxepin-5-one
Manual XrefsDatabases
8935358ChemSpider