CHEBI:208822 - 7-O-6'-(2"-acetyl phenyl)-5'-hydroxyhexanoate-macrolactin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-O-6'-(2"-acetyl phenyl)-5'-hydroxyhexanoate-macrolactin
ChEBI ID CHEBI:208822
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H50O8
Net Charge 0
Average Mass 634.810
Monoisotopic Mass 634.35057
InChI InChI=1S/C38H50O8/c1-29-17-8-4-3-5-9-19-33(41)28-34(42)20-10-6-11-22-35(23-12-7-13-25-37(43)45-29)46-38(44)26-16-21-32(40)27-31-18-14-15-24-36(31)30(2)39/h3,5-7,9-15,18-19,22,24-25,29,32-35,40-42H,4,8,16-17,20-21,23,26-28H2,1-2H3/b5-3+,10-6-,12-7+,19-9+,22-11+,25-13-
InChIKey DHVYLZQRJIDHEI-FTEXIHFASA-N
SMILES O=C1OC(CCCC=CC=CC(O)CC(O)CC=CC=CC(CC=CC=C1)OC(=O)CCCC(O)CC2=C(C(=O)C)C=CC=C2)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing 7-O-6'-(2"-acetyl phenyl)-5'-hydroxyhexanoate-macrolactin (CHEBI:208822) is a macrolide (CHEBI:25106)
IUPAC Name
[(3Z,5E,9E,11Z,17E,19E)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl] 6-(2-acetylphenyl)-5-hydroxyhexanoate
Manual Xref Database
64185953 ChemSpider
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