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CHEBI:80090 - Halstoctacosanolide A

ChEBI IDCHEBI:80090
ChEBI NameHalstoctacosanolide A
Stars
DownloadsMolfile
FormulaC48H76O12
Net Charge0
Average Mass845.124
Monoisotopic Mass844.53368
SMILESCCC(O)C(C)C(O)CC(O)C(O)/C=C(\C)CC(C)C1CC(O)C(C)/C=C/C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(C)\C=C(/C)C(O)C(=O)/C=C(\C)C(=O)O1)O2
InChIInChI=1S/C48H76O12/c1-11-38(49)36(10)41(52)26-43(54)42(53)23-29(3)22-32(6)45-27-40(51)31(5)16-14-12-13-15-30(4)39(50)25-37-18-17-35(9)48(58,60-37)20-19-28(2)21-33(7)46(56)44(55)24-34(8)47(57)59-45/h12-14,16,19,21,23-24,30-32,35-38,40-43,45-46,49,51-54,56,58H,11,15,17-18,20,22,25-27H2,1-10H3/b13-12+,16-14+,28-19-,29-23+,33-21+,34-24+
InChIKeyGQHNSYURZJAIPC-IFGCVEQJSA-N
ChEBI Ontology
Outgoing Relation(s)
Halstoctacosanolide A (CHEBI:80090) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
C15766KEGG COMPOUND