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CHEBI:205090 - 3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione

ChEBI IDCHEBI:205090
ChEBI Name3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32Cl2O6
Net Charge0
Average Mass511.442
Monoisotopic Mass510.15759
SMILESCc1c(O)cc2c(c1O)C(=O)C1=C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O
InChIInChI=1S/C26H32Cl2O6/c1-12-15(29)9-13-19(20(12)30)21(31)14-10-18(28)24(4,5)34-26(14,22(13)32)11-16-23(2,3)17(27)7-8-25(16,6)33/h9-10,16-18,29-30,33H,7-8,11H2,1-6H3/t16-,17-,18+,25-,26+/m0/s1
InChIKeyWDLIKJQSDJDSIK-UXDSUYCGSA-N
ChEBI Ontology
Outgoing Relation(s)
3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (CHEBI:205090) is a organic heterotricyclic compound (CHEBI:26979)
3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (CHEBI:205090) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,10aR)-3-chloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3H-benzo[g]chromene-5,10-dione
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