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CHEBI:214177 - 16-dechloro-16-hydroxynapyradiomycin C2

ChEBI IDCHEBI:214177
ChEBI Name16-dechloro-16-hydroxynapyradiomycin C2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28Cl2O6
Net Charge0
Average Mass495.399
Monoisotopic Mass494.12629
SMILESC=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CCC1O)C3=O
InChIInChI=1S/C25H28Cl2O6/c1-12-5-6-16(28)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(27)11-18(26)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,28-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7+/t16?,18-,24+,25+/m1/s1
InChIKeyUTXOFYRFSXYWKW-WLZKHMNMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18271555)
ChEBI Ontology
Outgoing Relation(s)
16-dechloro-16-hydroxynapyradiomycin C2 (CHEBI:214177) is a organic heterotricyclic compound (CHEBI:26979)
16-dechloro-16-hydroxynapyradiomycin C2 (CHEBI:214177) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,3E,16R,18R)-16,18-dichloro-7,11,22-trihydroxy-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
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78437509ChemSpider