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CHEBI:212035 - Saquayamycin I

ChEBI IDCHEBI:212035
ChEBI NameSaquayamycin I
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](O)[C@H](O[C@@H]6O[C@@H](C)C(=O)C=C6N)[C@@H](C)O4)c3O)C5=O)O[C@H]2C)C=CC1=O
InChIInChI=1S/C43H49NO16/c1-18-26(45)8-10-32(55-18)58-29-9-11-33(56-20(29)3)60-41(5)16-31(48)43(53)35-24(12-13-42(43,52)17-41)37(50)34-23(38(35)51)7-6-22(36(34)49)30-15-28(47)39(21(4)54-30)59-40-25(44)14-27(46)19(2)57-40/h6-8,10,12-14,18-21,28-30,32-33,39-40,47,49,52-53H,9,11,15-17,44H2,1-5H3/t18-,19-,20-,21+,28+,29-,30+,32-,33-,39+,40-,41-,42-,43-/m0/s1
InChIKeyRECUFBMPGRDCCA-AAHBEHQBSA-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 I (CHEBI:212035) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-9-[(2R,4R,5S,6R)-5-[[(2R,6S)-3-amino-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-4-hydroxy-6-methyloxan-2-yl]-4a,8,12b-trihydroxy-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
28515203ChemSpider