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CHEBI:223791 - 7-O-methyl-5′-hydroxy-3′-heptenoate-macrolactin

ChEBI IDCHEBI:223791
ChEBI Name7-O-methyl-5′-hydroxy-3′-heptenoate-macrolactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O7
Net Charge0
Average Mass528.686
Monoisotopic Mass528.30870
SMILESCC[C@H](O)/C=C/CC(=O)O[C@@H]1C=C/C=C\C[C@H](O)C[C@@H](O)/C=C/C=C\CCC[C@@H](C)OC(=O)/C=C\C=C\C1
InChIInChI=1S/C31H44O7/c1-3-26(32)19-15-23-31(36)38-29-20-12-7-11-18-28(34)24-27(33)17-10-6-4-5-9-16-25(2)37-30(35)22-14-8-13-21-29/h4,6-8,10-15,17,19-20,22,25-29,32-34H,3,5,9,16,18,21,23-24H2,1-2H3/b6-4-,11-7-,13-8+,17-10+,19-15+,20-12?,22-14-/t25-,26+,27+,28+,29-/m1/s1
InChIKeyRQEZKSDDHWVGHW-ANKYFMHJSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (25420039)
ChEBI Ontology
Outgoing Relation(s)
7-O-methyl-5′-hydroxy-3′-heptenoate-macrolactin (CHEBI:223791) is a macrolide (CHEBI:25106)
IUPAC Name 
[(3Z,5E,8S,11Z,14S,16R,17E,19Z,24R)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl] (E,5S)-5-hydroxyhept-3-enoate