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CHEBI:176178 - Neoreticulatacin A

ChEBI IDCHEBI:176178
ChEBI NameNeoreticulatacin A
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FormulaC37H68O5
Net Charge0
Average Mass592.946
Monoisotopic Mass592.50668
SMILESCCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1
InChIInChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3
InChIKeyBDGWQMLWIGDEKO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoreticulatacin A (CHEBI:176178) is a polyketide (CHEBI:26188)
IUPAC Name 
4-[15-hydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
HMDB0034924HMDB
24710089ChemSpider