CHEBI:223305 - 5-O-mycarosyltylactone

ChEBI IDCHEBI:223305
ChEBI Name5-O-mycarosyltylactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O8
Net Charge0
Average Mass538.722
Monoisotopic Mass538.35057
SMILESCC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@H]1C[C@@](C)(O)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C30H50O8/c1-9-22-14-18(4)23(31)12-11-17(3)13-19(5)25(10-2)37-26(33)15-24(32)20(6)28(22)38-27-16-30(8,35)29(34)21(7)36-27/h11-13,18-22,24-25,27-29,32,34-35H,9-10,14-16H2,1-8H3/b12-11+,17-13+/t18-,19-,20+,21+,22+,24-,25-,27+,28-,29+,30-/m1/s1
InChIKeyVDKUUCYALVPBEM-QCIXWMCNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7096197)
ChEBI Ontology
Outgoing Relation(s)
5-O-mycarosyltylactone (CHEBI:223305) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione