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CHEBI:200407 - (3Z,5E,9S,11E,13E,15S)-16-[(E)-4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

ChEBI IDCHEBI:200407
ChEBI Name(3Z,5E,9S,11E,13E,15S)-16-[(E)-4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O8
Net Charge0
Average Mass618.852
Monoisotopic Mass618.41317
SMILESCCC1OC(OC)(/C(C)=C/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(OC)[C@H]1C
InChIInChI=1S/C36H58O8/c1-13-29-28(8)32(41-11)21-36(42-12,44-29)27(7)20-26(6)34-30(39-9)16-14-15-22(2)17-24(4)33(37)25(5)18-23(3)19-31(40-10)35(38)43-34/h14-16,18-20,24-26,28-30,32-34,37H,13,17,21H2,1-12H3/b16-14+,22-15+,23-18+,27-20+,31-19-/t24-,25?,26?,28-,29?,30-,32?,33?,34?,36?/m0/s1
InChIKeyBCUGCPHGSXQZEI-GQEPERGASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS (ncbitaxon:876169) - PubMed (20823894)
ChEBI Ontology
Outgoing Relation(s)
(3Z,5E,9S,11E,13E,15S)-16-[(E)-4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (CHEBI:200407) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,9S,11E,13E,15S)-16-[(E)-4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one