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CHEBI:202109 - Novonestmycin A

ChEBI IDCHEBI:202109
ChEBI NameNovonestmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H100O24
Net Charge0
Average Mass1229.458
Monoisotopic Mass1228.66045
SMILESCC[C@H](O[C@@H]1C[C@H](OC(=O)c2ccc(O)c(O)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@H](C)[C@H](O)C[C@H](O)[C@@H](C)CCC[C@@H](C)[C@H](O)C(=O)[C@]2(O)O[C@H](C[C@@H](OC(C)=O)C[C@H](O)CCC[C@@H](O)[C@@H]3O[C@H]3[C@@H]1C)C[C@H](O)[C@H]2O
InChIInChI=1S/C62H100O24/c1-12-48(82-51-28-49(57(79-11)36(9)80-51)83-61(77)38-20-21-42(65)46(69)23-38)32(5)53(73)33(6)54(74)34(7)55-35(8)56-58(85-56)43(66)18-14-17-39(64)24-40(81-37(10)63)25-41-26-47(70)59(75)62(78,86-41)60(76)52(72)31(4)16-13-15-29(2)44(67)27-45(68)30(3)19-22-50(71)84-55/h19-23,29-36,39-41,43-45,47-49,51-59,64-70,72-75,78H,12-18,24-28H2,1-11H3/t29-,30-,31+,32-,33+,34-,35+,36-,39+,40-,41+,43+,44-,45+,47-,48-,49-,51+,52-,53-,54-,55-,56-,57-,58-,59+,62+/m0/s1
InChIKeyABBFMUJAOCZWJG-GRZHNJOVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25204346)
ChEBI Ontology
Outgoing Relation(s)
Novonestmycin A (CHEBI:202109) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2S,3S,4S,6S)-6-[(3S,4R,5R,6R,7S,8S)-8-[(1S,3S,5R,9R,10S,12S,13R,14S,19S,20R,22S,23S,27R,28S,30R,31R,32S)-3-acetyloxy-5,9,20,22,28,30,31,32-octahydroxy-13,19,23,27-tetramethyl-16,29-dioxo-11,15,34-trioxatricyclo[28.3.1.010,12]tetratriacont-17-en-14-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-3-methoxy-2-methyloxan-4-yl] 3,4-dihydroxybenzoate