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CHEBI:212172 - 3-hydroxy-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (MDN-0170)

ChEBI IDCHEBI:212172
ChEBI Name3-hydroxy-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (MDN-0170)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31ClO7
Net Charge0
Average Mass478.969
Monoisotopic Mass478.17583
SMILESCC1(C)O[C@@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)C2=C[C@@H]1O
InChIInChI=1S/C25H31ClO7/c1-22(2)16(24(5,32)7-6-17(22)26)11-25-14(10-18(29)23(3,4)33-25)20(30)19-13(21(25)31)8-12(27)9-15(19)28/h8-10,16-18,27-29,32H,6-7,11H2,1-5H3/t16-,17-,18-,24-,25+/m0/s1
InChIKeyJFLNWCYVXTXVNU-DLQIGINHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27763545)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (MDN-0170) (CHEBI:212172) is a organic heterotricyclic compound (CHEBI:26979)
3-hydroxy-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2-dimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (MDN-0170) (CHEBI:212172) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,10aR)-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-3,6,8-trihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione
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