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CHEBI:214161 - Stremycin A

ChEBI IDCHEBI:214161
ChEBI NameStremycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H65NO21
Net Charge0
Average Mass992.034
Monoisotopic Mass991.40491
SMILESCO[C@@H]1C[C@@H](O[C@H]2C=C(C)C[C@]3(O)[C@@H](OC(C)=O)[C@@H](O)C4=C(C(=O)c5ccc([C@H]6C[C@@H](O[C@H]7C[C@](C)(O)[C@H](O[C@H]8CC[C@H](OC(N)=O)[C@@H](C)O8)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)c(O)c5C4=O)[C@]23O)O[C@@H](C)[C@H]1O
InChIInChI=1S/C48H65NO21/c1-18-13-30(69-32-15-28(61-8)37(51)21(4)64-32)48(60)36-35(42(56)44(66-23(6)50)47(48,59)16-18)41(55)34-25(40(36)54)10-9-24(39(34)53)27-14-29(38(52)20(3)62-27)67-33-17-46(7,58)43(22(5)65-33)70-31-12-11-26(19(2)63-31)68-45(49)57/h9-10,13,19-22,26-33,37-38,42-44,51-53,56,58-60H,11-12,14-17H2,1-8H3,(H2,49,57)/t19-,20-,21+,22-,26+,27-,28-,29-,30+,31+,32-,33+,37-,38-,42+,43-,44+,46+,47+,48-/m1/s1
InChIKeyVYIZXEAOEHBNBT-VNPTZZOISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30213076)
ChEBI Ontology
Outgoing Relation(s)
Stremycin A (CHEBI:214161) is a anthraquinone (CHEBI:22580)
Stremycin A (CHEBI:214161) is a glycoside (CHEBI:24400)
IUPAC Name 
[(1S,4aS,5S,6S,12bS)-9-[(2R,4R,5R,6R)-4-[(2S,4S,5R,6R)-5-[(2S,5S,6R)-5-carbamoyloxy-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-4a,6,8,12b-tetrahydroxy-1-[(2R,4R,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-methyl-7,12-dioxo-1,4,5,6-tetrahydrobenzo[a]anthracen-5-yl] acetate
Manual XrefsDatabases
78439282ChemSpider