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CHEBI:210438 - Micromonospolide A

ChEBI IDCHEBI:210438
ChEBI NameMicromonospolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H65NO13
Net Charge0
Average Mass840.020
Monoisotopic Mass839.44559
SMILESC/C=C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](OC(=O)/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]1C
InChIInChI=1S/C46H65NO13/c1-11-12-13-16-35-30(6)38(58-40(51)21-20-39(50)47-41-33(48)18-19-34(41)49)25-46(55,60-35)32(8)43(53)31(7)44-36(56-9)17-14-15-26(2)22-28(4)42(52)29(5)23-27(3)24-37(57-10)45(54)59-44/h11-17,20-21,23-24,28-32,35-36,38,42-44,48,52-53,55H,18-19,22,25H2,1-10H3,(H,47,50)/b12-11+,16-13+,17-14+,21-20+,26-15+,27-23+,37-24-/t28-,29+,30+,31-,32-,35+,36-,38+,42-,43+,44+,46+/m0/s1
InChIKeyUFLUTFJOFJQQFG-IEFQJERJSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - DOI (10.1016/s0040-4039(01)00683-9)
ChEBI Ontology
Outgoing Relation(s)
Micromonospolide A (CHEBI:210438) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Manual XrefsDatabases
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