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CHEBI:220772 - (3Z,5E,9R,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dihydroxy-5-methyloxan-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

ChEBI IDCHEBI:220772
ChEBI Name(3Z,5E,9R,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dihydroxy-5-methyloxan-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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O9
Net Charge0
Average Mass608.813
Monoisotopic Mass608.39243
SMILESCCC1OC(O)(C(C)C(O)C(C)C2OC(=O)/C(OC)=C/C(C)=C/C(C)C(O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)CC(O)[C@H]1C
InChIInChI=1S/C34H56O9/c1-11-27-23(6)26(35)18-34(39,43-27)25(8)31(37)24(7)32-28(40-9)14-12-13-19(2)15-21(4)30(36)22(5)16-20(3)17-29(41-10)33(38)42-32/h12-14,16-17,21-28,30-32,35-37,39H,11,15,18H2,1-10H3/b14-12+,19-13+,20-16+,29-17-/t21-,22?,23-,24?,25?,26?,27?,28+,30?,31?,32?,34?/m1/s1
InChIKeyDYPQZGJEEBDGCP-NYMZRZITSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS (ncbitaxon:876169) - PubMed (20823894)
ChEBI Ontology
Outgoing Relation(s)
(3Z,5E,9R,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dihydroxy-5-methyloxan-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 (CHEBI:220772) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,9R,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dihydroxy-5-methyloxan-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