EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212612 - Napyradiomycin C2

ChEBI IDCHEBI:212612
ChEBI NameNapyradiomycin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27Cl3O5
Net Charge0
Average Mass513.845
Monoisotopic Mass512.09241
SMILESC=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(/C)CCC1Cl)C3=O
InChIInChI=1S/C25H27Cl3O5/c1-12-5-6-16(26)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(28)11-18(27)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,29-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7-/t16?,18-,24+,25+/m1/s1
InChIKeyTUASWIIAAPWHMO-BQRVRKBTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3710909)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin C2 (CHEBI:212612) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin C2 (CHEBI:212612) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,3E,16R,18R)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10,12,14(22)-tetraene-15,21-dione