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CHEBI:205269 - Methoxy-macrolactin 3

ChEBI IDCHEBI:205269
ChEBI NameMethoxy-macrolactin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O10
Net Charge0
Average Mass578.699
Monoisotopic Mass578.30910
SMILESCOC1/C=C\C=C\C[C@@H](O)C/C=C\C=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C/C=C/C=C\C(=O)O[C@H](C)CCC1
InChIInChI=1S/C31H46O10/c1-22-13-12-19-24(38-2)16-8-3-6-14-23(33)15-7-4-9-17-25(18-10-5-11-20-27(34)39-22)40-31-30(37)29(36)28(35)26(21-32)41-31/h3-11,16-17,20,22-26,28-33,35-37H,12-15,18-19,21H2,1-2H3/b6-3+,7-4-,10-5+,16-8-,17-9?,20-11-/t22-,23-,24?,25-,26-,28-,29+,30-,31-/m1/s1
InChIKeyANHCGTXOAYQDKJ-YNKQCMAVSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.3987/com-12-12594)
ChEBI Ontology
Outgoing Relation(s)
Methoxy-macrolactin 3 (CHEBI:205269) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,8S,11Z,14R,16E,18Z,24R)-14-hydroxy-20-methoxy-24-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,16,18-hexaen-2-one