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CHEBI:218038 - CJ-12954

ChEBI IDCHEBI:218038
ChEBI NameCJ-12954
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESCOc1cc(OC)c2c(c1)[C@@H](CCCCCC[C@@H]1CC[C@@]3(CCC(C)O3)O1)OC2=O
InChIInChI=1S/C24H34O6/c1-16-10-12-24(29-16)13-11-17(30-24)8-6-4-5-7-9-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h14-17,20H,4-13H2,1-3H3/t16?,17-,20-,24-/m1/s1
InChIKeyMDVWGBKYBVEXHU-OSHIJYEESA-N
Species of MetaboliteComponentSourceComments
Phanerochaete velutina (ncbitaxon:194680) - PubMed (9402988)
ChEBI Ontology
Outgoing Relation(s)
CJ-12954 (CHEBI:218038) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-5,7-dimethoxy-3-[6-[(2R,5R)-7-methyl-1,6-dioxaspiro[4.4]nonan-2-yl]hexyl]-3H-2-benzouran-1-one
Manual XrefsDatabases
78437591ChemSpider