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CHEBI:202129 - Saquayamycin E

ChEBI IDCHEBI:202129
ChEBI NameSaquayamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H50O16
Net Charge0
Average Mass822.857
Monoisotopic Mass822.30989
SMILESCC1OC(OC2C(O)CC(c3ccc4c(c3O)C(=O)C3=C(C4=O)C4(O)C(=O)CC(C)(OC5CCC(OC6CCC(=O)C(C)O6)C(C)O5)CC4(O)C=C3)OC2C)C=CC1=O
InChIInChI=1S/C43H50O16/c1-19-26(44)8-11-32(54-19)57-29-10-13-34(56-21(29)3)59-41(5)17-31(47)43(52)36-25(14-15-42(43,51)18-41)38(49)35-24(39(36)50)7-6-23(37(35)48)30-16-28(46)40(22(4)53-30)58-33-12-9-27(45)20(2)55-33/h6-7,9,12,14-15,19-22,28-30,32-34,40,46,48,51-52H,8,10-11,13,16-18H2,1-5H3
InChIKeyVWFXKMIXHGVTNY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (8682727)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Saquayamycin E (CHEBI:202129) is a angucycline (CHEBI:48130)
IUPAC Name 
4a,8,12b-trihydroxy-9-[4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
8947051ChemSpider