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CHEBI:213021 - Micromonospolide C

ChEBI IDCHEBI:213021
ChEBI NameMicromonospolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56O8
Net Charge0
Average Mass628.847
Monoisotopic Mass628.39752
SMILESC/C=C/C=C/C(O)C(C)/C=C/C(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@@H]1OC
InChIInChI=1S/C37H56O8/c1-11-12-13-16-30(38)25(4)18-19-31(39)28(7)35(41)29(8)36-32(43-9)17-14-15-23(2)20-26(5)34(40)27(6)21-24(3)22-33(44-10)37(42)45-36/h11-19,21-22,25-30,32,34-36,38,40-41H,20H2,1-10H3/b12-11+,16-13+,17-14+,19-18+,23-15+,24-21+,33-22-/t25?,26-,27+,28+,29-,30?,32-,34-,35-,36+/m0/s1
InChIKeyVCXZNDFZPMEAMI-FJYIWIBXSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - DOI (10.1016/s0040-4020(01)00843-2)
ChEBI Ontology
Outgoing Relation(s)
Micromonospolide C (CHEBI:213021) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,10E,12E)-3,9-dihydroxy-4,8-dimethyl-5-oxotetradeca-6,10,12-trien-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
10215819ChemSpider