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CHEBI:205146 - 7-demethyl A80915B

ChEBI IDCHEBI:205146
ChEBI Name7-demethyl A80915B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27Cl3N2O5
Net Charge0
Average Mass541.859
Monoisotopic Mass540.09856
SMILESC=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C=C1O
InChIInChI=1S/C25H27Cl3N2O5/c1-11-6-7-15(26)22(2,3)12(11)9-25-21(34)18-17(13(31)8-14(32)19(18)30-29)20(33)24(25,28)10-16(27)23(4,5)35-25/h8,12,15-16,31H,1,6-7,9-10H2,2-5H3/t12-,15+,16-,24+,25+/m1/s1
InChIKeyHYDZZTKLIACTQZ-NLBVGZHFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18271555)
ChEBI Ontology
Outgoing Relation(s)
7-demethyl A80915B (CHEBI:205146) is a organic heterotricyclic compound (CHEBI:26979)
7-demethyl A80915B (CHEBI:205146) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aS)-3,4a-dichloro-10a-[[(1R,3S)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-9-diazo-6-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,8,10-trione
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