7-O-succinyl macrolactin A (CHEBI:213542)

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CHEBI:213542 - 7-O-succinyl macrolactin A

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ChEBI ID	CHEBI:213542
ChEBI Name	7-O-succinyl macrolactin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H38O8
Net Charge	0
Average Mass	502.604
Monoisotopic Mass	502.25667
SMILES	C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](OC(=O)CCC(=O)O)C/C=C/C=C\C(=O)O1
InChI	InChI=1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5-,11-6+,14-8+,16-10+,18-12-/t22-,23+,24+,25-/m1/s1
InChIKey	QPJULYYJHQTWML-GIDLKBJSSA-N

Species of Metabolite	Component	Source	Comments
Bacillus (ncbitaxon:1386)	-	PubMed (10924180)

ChEBI Ontology

Outgoing Relation(s)
	7-O-succinyl macrolactin A (CHEBI:213542) is a macrolide (CHEBI:25106)

IUPAC Name
4-[[(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]-4-oxobutanoic acid

Manual Xrefs	Databases
10242631	ChemSpider