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CHEBI:227646 - [(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(dimethoxymethyl)-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate

ChEBI IDCHEBI:227646
ChEBI Name[(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(dimethoxymethyl)-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O7
Net Charge0
Average Mass366.410
Monoisotopic Mass366.16785
SMILESCOC(OC)[C@@]1(C)O[C@]12C[C@@]1(C)C(=CC2=O)[C@@H]2O[C@@H]2[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C19H26O7/c1-9-13(24-10(2)20)15-14(25-15)11-7-12(21)19(8-17(9,11)3)18(4,26-19)16(22-5)23-6/h7,9,13-16H,8H2,1-6H3/t9-,13+,14-,15+,17+,18+,19-/m0/s1
InChIKeyAYIBGCBSOAOJOZ-LWIMQNIVSA-N
Species of MetaboliteComponentSourceComments
Penicillium chermesinum (ncbitaxon:63820) - DOI (10.1039/c5ra13735g)
ChEBI Ontology
Outgoing Relation(s)
[(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(dimethoxymethyl)-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate (CHEBI:227646) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(dimethoxymethyl)-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
Manual XrefsDatabases
40256871ChemSpider