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CHEBI:202760 - Micromonospolide B

ChEBI IDCHEBI:202760
ChEBI NameMicromonospolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H58O9
Net Charge0
Average Mass646.862
Monoisotopic Mass646.40808
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](O)[C@@H]1C
InChIInChI=1S/C37H58O9/c1-11-12-13-16-30-26(6)29(38)21-37(42,46-30)28(8)34(40)27(7)35-31(43-9)17-14-15-22(2)18-24(4)33(39)25(5)19-23(3)20-32(44-10)36(41)45-35/h11-17,19-20,24-31,33-35,38-40,42H,18,21H2,1-10H3/b12-11+,16-13+,17-14-,22-15-,23-19-,32-20+/t24-,25+,26-,27-,28-,29+,30+,31-,33-,34+,35+,37+/m0/s1
InChIKeyILQQSAMELBORTI-AMZCWPHDSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - DOI (10.1016/s0040-4020(01)00843-2)
ChEBI Ontology
Outgoing Relation(s)
Micromonospolide B (CHEBI:202760) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
78436912ChemSpider