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CHEBI:222510 - Notonesomycin A

ChEBI IDCHEBI:222510
ChEBI NameNotonesomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC68H111NO30S
Net Charge0
Average Mass1454.680
Monoisotopic Mass1453.69116
SMILESCC[C@@H](O[C@@H]1C[C@@H](OC(=O)c2ccc(NC)c(O[C@@H]3CC[C@H](O)[C@@H](C)O3)c2)[C@@H](OC)[C@H](C)O1)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1OC(=O)/C=C/C[C@H](O)C[C@H](O)CCCC[C@@H](C)[C@H](O)[C@H](O)[C@@]2(O)O[C@H](C[C@H](OC(=O)CC(=O)O)C[C@@H](O)CCC[C@@H](O)[C@H]3O[C@@H]3[C@@H]1C)C[C@H](OS(=O)(=O)O)[C@H]2O
InChIInChI=1S/C68H111NO30S/c1-11-49(93-57-31-51(63(89-10)39(8)91-57)95-67(84)40-22-23-46(69-9)50(26-40)94-56-25-24-47(73)38(7)90-56)34(3)59(80)35(4)60(81)36(5)61-37(6)62-64(97-62)48(74)20-14-18-43(72)28-44(92-55(78)32-53(75)76)29-45-30-52(99-100(86,87)88)65(82)68(85,98-45)66(83)58(79)33(2)16-12-13-17-41(70)27-42(71)19-15-21-54(77)96-61/h15,21-23,26,33-39,41-45,47-49,51-52,56-66,69-74,79-83,85H,11-14,16-20,24-25,27-32H2,1-10H3,(H,75,76)(H,86,87,88)/b21-15+/t33-,34-,35-,36-,37-,38-,39+,41-,42+,43+,44-,45-,47+,48-,49-,51-,52+,56-,57-,58+,59+,60+,61-,62-,63+,64-,65-,66+,68+/m1/s1
InChIKeyHVHQPPAFOWCAJP-LPYYGHOJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3710911)
ChEBI Ontology
Outgoing Relation(s)
Notonesomycin A (CHEBI:222510) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(1R,3R,5S,9R,10R,12R,13R,14R,17E,20S,22R,27R,28S,29S,30R,31R,32S)-14-[(2R,3S,4R,5R,6S,7R)-3,5-dihydroxy-7-[(2S,4R,5S,6S)-4-[3-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4-(methylamino)benzoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-5,9,20,22,28,29,30,31-octahydroxy-13,27-dimethyl-16-oxo-32-sulooxy-11,15,34-trioxatricyclo[28.3.1.010,12]tetratriacont-17-en-3-yl]oxy]-3-oxopropanoic acid
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