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CHEBI:201166 - A80915D

ChEBI IDCHEBI:201166
ChEBI NameA80915D
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SubmitterMetaboLights
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FormulaC26H31Cl3N2O6
Net Charge0
Average Mass573.901
Monoisotopic Mass572.12477
SMILESCC1=C(O)C2=C(C(=O)[C@]3(C[C@H]4C(C)(C)[C@@H](Cl)CC[C@]4(C)O)OC(C)(C)[C@H](Cl)C[C@]3(Cl)C2=O)C(=[N+]=[N-])C1=O
InChIInChI=1S/C26H31Cl3N2O6/c1-11-18(32)16-15(17(31-30)19(11)33)21(35)26(9-12-22(2,3)13(27)7-8-24(12,6)36)25(29,20(16)34)10-14(28)23(4,5)37-26/h12-14,32,36H,7-10H2,1-6H3/t12-,13-,14+,24-,25-,26-/m0/s1
InChIKeyDTXSUAICQAUGGW-GIXVMFRNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1696251)
ChEBI Ontology
Outgoing Relation(s)
A80915D (CHEBI:201166) is a organic heterotricyclic compound (CHEBI:26979)
A80915D (CHEBI:201166) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aS)-3,4a-dichloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-9-diazo-6-hydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,8,10-trione
Manual XrefsDatabases
31128551ChemSpider