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CHEBI:208955 - 8-deacetylcyclocalopin B

ChEBI IDCHEBI:208955
ChEBI Name8-deacetylcyclocalopin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILESCC(=O)O[C@@H]1[C@@H](O)C(C)=CC[C@]12[C@H]1[C@H](C)COC(=O)[C@H]1O[C@@]2(C)O
InChIInChI=1S/C17H24O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11-14,19,21H,6-7H2,1-4H3/t9-,11+,12+,13+,14-,16-,17+/m1/s1
InChIKeyYCSRFLMEGDYMGX-DSFMCHPJSA-N
Species of MetaboliteComponentSourceComments
Caloboletus radicans (ncbitaxon:2100787) - PubMed (29381357)
ChEBI Ontology
Outgoing Relation(s)
8-deacetylcyclocalopin B (CHEBI:208955) is a furopyran (CHEBI:74927)
IUPAC Name 
[(1'S,2R,2'S,3S,3aR,4S,7aS)-2,2'-dihydroxy-2,3',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrouro[2,3-c]pyran-3,6'-cyclohex-3-ene]-1'-yl] acetate
Manual XrefsDatabases
78439041ChemSpider