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CHEBI:217192 - AB023

ChEBI IDCHEBI:217192
ChEBI NameAB023
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O8
Net Charge0
Average Mass550.733
Monoisotopic Mass550.35057
SMILESCC1/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)CC(O)CC(O)CCCC(O)CC(O)C(C)C(=O)OC1C
InChIInChI=1S/C31H50O8/c1-21-14-11-9-7-5-6-8-10-12-17-28(35)22(2)29(36)20-27(34)18-25(32)15-13-16-26(33)19-30(37)23(3)31(38)39-24(21)4/h5-12,14,17,21-30,32-37H,13,15-16,18-20H2,1-4H3/b6-5+,9-7+,10-8+,14-11+,17-12+
InChIKeyRXFPIRNYTBRDOG-LHKSPRDVSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (8468239)
ChEBI Ontology
Outgoing Relation(s)
AB023 (CHEBI:217192) is a macrolide (CHEBI:25106)
IUPAC Name 
(17E,19E,21E,23E,25E)-4,6,10,12,14,16-hexahydroxy-3,15,27,28-tetramethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Manual XrefsDatabases
4976367ChemSpider