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CHEBI:192736 - Brasilionolide B

ChEBI IDCHEBI:192736
ChEBI NameBrasilionolide B
Stars
Submittermwilliams
DownloadsMolfile
FormulaC59H104O23
Net Charge0
Average Mass1181.458
Monoisotopic Mass1180.69684
SMILESCCCCC(C(=O)OC)C(=O)OC1CCCC(O)C2OC2C(C)C(C(C)C(O)C(C)C(O)C(C)C(C)OC2CC(OC)C(OC)C(C)O2)OC(=O)/C=C/CC(O)CC(O)CC(O)CCC(C)C(O)CC2(O)OC(CC(O)C1)CC(O)C2O
InChIInChI=1S/C59H104O23/c1-12-13-18-43(57(71)76-11)58(72)79-41-17-15-19-44(64)55-53(81-55)34(6)52(33(5)51(69)32(4)50(68)31(3)35(7)77-49-28-47(74-9)54(75-10)36(8)78-49)80-48(67)20-14-16-37(60)23-39(62)24-38(61)22-21-30(2)46(66)29-59(73)56(70)45(65)27-42(82-59)26-40(63)25-41/h14,20,30-47,49-56,60-66,68-70,73H,12-13,15-19,21-29H2,1-11H3/b20-14+
InChIKeyAXFOSMASHUQEMX-XSFVSMFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus Af293 (ncbitaxon:330879) Whole Organism (NCIT:C13413) MetaboLights (MTBLS5072)
ChEBI Ontology
Outgoing Relation(s)
Brasilionolide B (CHEBI:192736) is a macrolide (CHEBI:25106)