CHEBI:212612 - Napyradiomycin C2

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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 C2
ChEBI ID CHEBI:212612
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H27Cl3O5
Net Charge 0
Average Mass 513.840
Monoisotopic Mass 512.09241
InChI InChI=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
InChIKey TUASWIIAAPWHMO-BQRVRKBTSA-N
SMILES Cl[C@@]12C(=O)C3=C(O)C4=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC=C(CCC(C(C4)=C)Cl)C)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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