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CHEBI:208961 - Cyclocalopin A-15-OL

ChEBI IDCHEBI:208961
ChEBI NameCyclocalopin A-15-OL
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O7
Net Charge0
Average Mass312.318
Monoisotopic Mass312.12090
SMILESC[C@@H]1COC(=O)[C@H]2O[C@@](C)(O)[C@@]3(CC=C(CO)C(=O)[C@H]3O)[C@@H]12
InChIInChI=1S/C15H20O7/c1-7-6-21-13(19)11-9(7)15(14(2,20)22-11)4-3-8(5-16)10(17)12(15)18/h3,7,9,11-12,16,18,20H,4-6H2,1-2H3/t7-,9+,11+,12-,14-,15+/m1/s1
InChIKeyRTTDYIKRWSMBLP-OINMGDQOSA-N
Species of MetaboliteComponentSourceComments
Caloboletus radicans (ncbitaxon:2100787) - PubMed (29381357)
ChEBI Ontology
Outgoing Relation(s)
Cyclocalopin A-15-OL (CHEBI:208961) is a furopyran (CHEBI:74927)
IUPAC Name 
(2R,3S,3aR,4S,6'S,7aS)-2,6'-dihydroxy-2'-(hydroxymethyl)-2,4-dimethylspiro[3a,4,5,7a-tetrahydrouro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
Manual XrefsDatabases
78439042ChemSpider