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CHEBI:223536 - 2-epi-anthracimycin

ChEBI IDCHEBI:223536
ChEBI Name2-epi-anthracimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O4
Net Charge0
Average Mass396.527
Monoisotopic Mass396.23006
SMILESCC1=CC[C@@H]2[C@H]3/C(O)=C/C(=O)[C@H](C)C(=O)O[C@H](C)/C=C/C=C\[C@H](C)[C@H]3C=C[C@H]2C1
InChIInChI=1S/C25H32O4/c1-15-9-11-21-19(13-15)10-12-20-16(2)7-5-6-8-17(3)29-25(28)18(4)22(26)14-23(27)24(20)21/h5-10,12,14,16-21,24,27H,11,13H2,1-4H3/b7-5-,8-6+,23-14-/t16-,17+,18-,19-,20+,21-,24-/m0/s1
InChIKeyMHXKMAAKEHGISP-GJKJGJOISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32404990)
ChEBI Ontology
Outgoing Relation(s)
2-epi-anthracimycin (CHEBI:223536) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2S,3Z,5E,7R,10S,12Z,14R,15S,20R)-13-hydroxy-2,7,10,18-tetramethyl-8-oxatricyclo[12.8.0.015,20]docosa-3,5,12,17,21-pentaene-9,11-dione
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95893877ChemSpider