EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212617 - Napyradiomycin C1

ChEBI IDCHEBI:212617
ChEBI NameNapyradiomycin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28Cl2O5
Net Charge0
Average Mass479.400
Monoisotopic Mass478.13138
SMILESC/C1=C/C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O
InChIInChI=1S/C25H28Cl2O5/c1-13-6-5-7-14(2)10-15-17(28)11-16-19(20(15)29)22(31)24(27)12-18(26)23(3,4)32-25(24,9-8-13)21(16)30/h7-8,11,18,28-29H,5-6,9-10,12H2,1-4H3/b13-8-,14-7-/t18-,24+,25+/m1/s1
InChIKeyJBVAFOMCWIFYSA-OHXYYGGMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3710909)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin C1 (CHEBI:212617) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin C1 (CHEBI:212617) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,3E,7Z,16R,18R)-16,18-dichloro-11,22-dihydroxy-4,8,19,19-tetramethyl-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,7,10,12,14(22)-pentaene-15,21-dione