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CHEBI:198452 - 7-o-malonyl macrolactin A

ChEBI IDCHEBI:198452
ChEBI Name7-o-malonyl macrolactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O8
Net Charge0
Average Mass488.577
Monoisotopic Mass488.24102
SMILESC[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](OC(=O)CC(=O)O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C27H36O8/c1-21-13-7-3-2-4-8-14-22(28)19-23(29)15-9-5-10-16-24(35-27(33)20-25(30)31)17-11-6-12-18-26(32)34-21/h2,4-6,8-12,14,16,18,21-24,28-29H,3,7,13,15,17,19-20H2,1H3,(H,30,31)/b4-2+,9-5-,11-6+,14-8+,16-10+,18-12-/t21-,22+,23+,24-/m1/s1
InChIKeyZJSLOGHFCRASLO-BFRQYJOGSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (16641438)
ChEBI Ontology
Outgoing Relation(s)
7-o-malonyl macrolactin A (CHEBI:198452) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-3-oxopropanoic acid
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