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CHEBI:212680 - Amantelide A

ChEBI IDCHEBI:212680
ChEBI NameAmantelide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H84O11
Net Charge0
Average Mass789.145
Monoisotopic Mass788.60136
SMILESCC1=CC(=O)OC(C(C)(C)C)CC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCC[C@@H](O)C[C@@H](O)CCC1
InChIInChI=1S/C44H84O11/c1-32-13-5-26-39(51)30-40(52)27-11-24-37(49)22-9-20-35(47)18-7-16-33(45)14-6-15-34(46)17-8-19-36(48)21-10-23-38(50)25-12-28-41(53)31-42(44(2,3)4)55-43(54)29-32/h29,33-42,45-53H,5-28,30-31H2,1-4H3/t33?,34?,35?,36?,37?,38?,39-,40+,41?,42?/m0/s1
InChIKeyKOLKKRHAEDKYEF-REPDDWJWSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (26204500)
ChEBI Ontology
Outgoing Relation(s)
Amantelide A (CHEBI:212680) is a macrolide (CHEBI:25106)
IUPAC Name 
(8S,10R)-40-tert-butyl-8,10,14,18,22,26,30,34,38-nonahydroxy-4-methyl-1-oxacyclotetracont-3-en-2-one