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CHEBI:208966 - 12,15-dimethoxycyclocalopin A

ChEBI IDCHEBI:208966
ChEBI Name12,15-dimethoxycyclocalopin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILESCOCC1=CC[C@]2([C@H]3[C@H](C)COC(=O)[C@H]3O[C@@]2(C)OC)[C@H](O)C1=O
InChIInChI=1S/C17H24O7/c1-9-7-23-15(20)13-11(9)17(16(2,22-4)24-13)6-5-10(8-21-3)12(18)14(17)19/h5,9,11,13-14,19H,6-8H2,1-4H3/t9-,11+,13+,14-,16-,17+/m1/s1
InChIKeyCFJPOVPOQRGAEZ-CNORLRFSSA-N
Species of MetaboliteComponentSourceComments
Caloboletus radicans (ncbitaxon:2100787) - PubMed (29381357)
ChEBI Ontology
Outgoing Relation(s)
12,15-dimethoxycyclocalopin A (CHEBI:208966) is a furopyran (CHEBI:74927)
IUPAC Name 
(2R,3S,3aR,4S,6'S,7aS)-6'-hydroxy-2-methoxy-2'-(methoxymethyl)-2,4-dimethylspiro[3a,4,5,7a-tetrahydrouro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
Manual XrefsDatabases
78439043ChemSpider