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CHEBI:227017 - Saquayamycin H

ChEBI IDCHEBI:227017
ChEBI NameSaquayamycin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H49NO16
Net Charge0
Average Mass835.856
Monoisotopic Mass835.30513
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@]3(C)CC(=O)[C@]4(O)C5=C(C=C[C@]4(O)C3)C(=O)c3c(ccc([C@H]4C[C@H]6O[C@H]7CC(=O)[C@H](C)O[C@H]7O[C@@H]6[C@@H](C)O4)c3O)C5=O)O[C@H]2C)C(N)=CC1=O
InChIInChI=1S/C43H49NO16/c1-17-25(45)12-24(44)39(55-17)58-27-8-9-32(54-19(27)3)60-41(5)15-31(47)43(52)34-23(10-11-42(43,51)16-41)36(49)33-22(37(34)50)7-6-21(35(33)48)28-14-29-38(20(4)53-28)59-40-30(57-29)13-26(46)18(2)56-40/h6-7,10-12,17-20,27-30,32,38-40,48,51-52H,8-9,13-16,44H2,1-5H3/t17-,18-,19-,20+,27-,28+,29+,30-,32-,38+,39-,40-,41-,42-,43-/m0/s1
InChIKeyOSNYOGYREUNYPD-FKJZLZQJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22758660)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Saquayamycin H (CHEBI:227017) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-3-[(2S,5S,6S)-5-[[(2R,6S)-3-amino-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-6-methyloxan-2-yl]oxy-9-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-4a,8,12b-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
28515202ChemSpider