CHEBI:205146 - 7-demethyl A80915B

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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 7-demethyl A80915B
ChEBI ID CHEBI:205146
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H27Cl3N2O5
Net Charge 0
Average Mass 541.850
Monoisotopic Mass 540.09856
InChI InChI=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
InChIKey HYDZZTKLIACTQZ-NLBVGZHFSA-N
SMILES Cl[C@@]12C(=O)C3=C(C(=[N+]=[N-])C(=O)C=C3O)C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
23340834 ChemSpider
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