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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
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
ChEBI ID CHEBI:209127
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O7
Net Charge 0
Average Mass 414.454
Monoisotopic Mass 414.16785
InChI InChI=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
InChIKey JLPJRAAMLDNSQD-AUGHLSCUSA-N
SMILES O=C1C=2OC([C@H]3C[C@H](OC(=O)C)[C@@H](C[C@H]3C2C(=O)C=4C1=C(O)C(=C(O)C4)C)C)(C)C
Metabolite of Species Details
Streptomycesspecies CNQ-509 (NCBI:txid444103) See: PubMed
ChEBI Ontology
Outgoing [(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
Manual Xref Database
65321332 ChemSpider
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