CHEBI:224309 - Napyradiomycin E

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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 Napyradiomycin E
ChEBI ID CHEBI:224309
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28BrClO5
Net Charge 0
Average Mass 523.850
Monoisotopic Mass 522.08087
InChI InChI=1S/C25H28BrClO5/c1-12-6-7-18(26)23(2,3)16(12)11-25-15(10-19(27)24(4,5)32-25)21(30)20-14(22(25)31)8-13(28)9-17(20)29/h8-10,16,18-19,28-29H,1,6-7,11H2,2-5H3/t16-,18+,19-,25-/m1/s1
InChIKey VBPKTZGJWVBPSM-PMEUVPMPSA-N
SMILES Br[C@@H]1C([C@@H](C(=C)CC1)C[C@@]23OC([C@H](Cl)C=C2C(=O)C4=C(C3=O)C=C(O)C=C4O)(C)C)(C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Napyradiomycin E (CHEBI:224309) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin E (CHEBI:224309) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,10aR)-10a-[[(1R,3S)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-3-chloro-6,8-dihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione
Manual Xref Database
30770874 ChemSpider
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