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CHEBI:212685 - Amantelide B

ChEBI IDCHEBI:212685
ChEBI NameAmantelide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC46H86O12
Net Charge0
Average Mass831.182
Monoisotopic Mass830.61193
SMILESCC(=O)OC1CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCC[C@@H](O)C[C@@H](O)CCCC(C)=CC(=O)OC(C(C)(C)C)CC(O)CCC1
InChIInChI=1S/C46H86O12/c1-33-14-6-25-40(53)31-41(54)26-11-23-38(51)21-9-19-36(49)17-7-15-35(48)16-8-18-37(50)20-10-22-39(52)24-12-28-43(57-34(2)47)29-13-27-42(55)32-44(46(3,4)5)58-45(56)30-33/h30,35-44,48-55H,6-29,31-32H2,1-5H3/t35?,36?,37?,38?,39?,40-,41+,42?,43?,44?/m0/s1
InChIKeyZNTCNTCXAOQVBB-RYKDMCJLSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (26204500)
ChEBI Ontology
Outgoing Relation(s)
Amantelide B (CHEBI:212685) is a macrolide (CHEBI:25106)
IUPAC Name 
[(32R,34S)-2-tert-butyl-4,12,16,20,24,28,32,34-octahydroxy-38-methyl-40-oxo-1-oxacyclotetracont-38-en-8-yl] acetate