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CHEBI:202245 - Napyradiomycin 2

ChEBI IDCHEBI:202245
ChEBI NameNapyradiomycin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O7
Net Charge0
Average Mass440.492
Monoisotopic Mass440.18350
SMILESC/C1=C/C[C@@]23OC(C)(C)[C@@H](O)C=C2C(=O)c2c(cc(O)c(c2O)C/C(CO)=C\CC1)C3=O
InChIInChI=1S/C25H28O7/c1-13-5-4-6-14(12-26)9-15-18(27)10-16-20(21(15)29)22(30)17-11-19(28)24(2,3)32-25(17,8-7-13)23(16)31/h6-7,10-11,19,26-29H,4-5,8-9,12H2,1-3H3/b13-7-,14-6+/t19-,25+/m0/s1
InChIKeyBKEDHHFOCFGVBQ-QVWGALEVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24376369)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin 2 (CHEBI:202245) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin 2 (CHEBI:202245) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,3Z,7E,18S)-11,18,22-trihydroxy-8-(hydroxymethyl)-4,19,19-trimethyl-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,7,10,12,14(22),16-hexaene-15,21-dione
Manual XrefsDatabases
78436841ChemSpider