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CHEBI:8643 - Purpureacin-1

ChEBI IDCHEBI:8643
ChEBI NamePurpureacin-1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H66O8
Net Charge0
Average Mass638.927
Monoisotopic Mass638.47577
SMILES[H]C1(CCCCCCCC(O)CC2=CC(C)OC2=O)CCC([H])(C(O)CCC(O)C2([H])CCC([H])(C(O)CCCCCCCCCC)O2)O1
InChIInChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
InChIKeyHKMBLJVHVBJAIH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Purpureacin-1 (CHEBI:8643) is a polyketide (CHEBI:26188)
Synonym  Source
Purpureacin-1KEGG COMPOUND
Manual XrefsDatabases
C08505KEGG COMPOUND
C00001320KNApSAcK
HMDB0034739HMDB
Registry NumbersSources
CAS:150134-21-7KEGG COMPOUND