EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212630 - Napyradiomycin B2

ChEBI IDCHEBI:212630
ChEBI NameNapyradiomycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28Cl2O5
Net Charge0
Average Mass479.400
Monoisotopic Mass478.13138
SMILESC=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C25H28Cl2O5/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
InChIKeyIJSYJQMXPZXWNA-PMEUVPMPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3710909)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin B2 (CHEBI:212630) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin B2 (CHEBI:212630) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,10aR)-3-chloro-10a-[[(1R,3S)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione