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CHEBI:209127 - [(2R,3S,4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] acetate

ChEBI IDCHEBI:209127
ChEBI Name[(2R,3S,4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O7
Net Charge0
Average Mass414.454
Monoisotopic Mass414.16785
SMILESCC(=O)O[C@H]1C[C@H]2[C@@H](C[C@H]1C)C1=C(OC2(C)C)C(=O)c2c(cc(O)c(C)c2O)C1=O
InChIInChI=1S/C23H26O7/c1-9-6-12-14(8-16(9)29-11(3)24)23(4,5)30-22-18(12)20(27)13-7-15(25)10(2)19(26)17(13)21(22)28/h7,9,12,14,16,25-26H,6,8H2,1-5H3/t9-,12-,14+,16+/m1/s1
InChIKeyJLPJRAAMLDNSQD-AUGHLSCUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNQ-509 (ncbitaxon:444103) - PubMed (29534540)
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] acetate (CHEBI:209127) is a organic heterotricyclic compound (CHEBI:26979)
[(2R,3S,4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] acetate (CHEBI:209127) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R,3S,4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] acetate
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