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CHEBI:201126 - Saccharothrixmicine A

ChEBI IDCHEBI:201126
ChEBI NameSaccharothrixmicine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O9
Net Charge0
Average Mass468.458
Monoisotopic Mass468.14203
SMILESCC1OC(Oc2cccc3c2C(=O)c2ccc4c(c2C3=O)C(=O)C[C@H](C)[C@H]4O)C(O)C(O)C1O
InChIInChI=1S/C25H24O9/c1-9-8-14(26)16-12(19(9)27)6-7-13-18(16)22(30)11-4-3-5-15(17(11)21(13)29)34-25-24(32)23(31)20(28)10(2)33-25/h3-7,9-10,19-20,23-25,27-28,31-32H,8H2,1-2H3/t9-,10?,19+,20?,23?,24?,25?/m0/s1
InChIKeyISMPAYVGURKLMF-BWCXDIJBSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix espanaensis (ncbitaxon:103731) - PubMed (20433079)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Saccharothrixmicine A (CHEBI:201126) is a angucycline (CHEBI:48130)
IUPAC Name 
(3S,4R)-4-hydroxy-3-methyl-8-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
27025368ChemSpider