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CHEBI:223521 - Iseolide A

ChEBI IDCHEBI:223521
ChEBI NameIseolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H134O29
Net Charge0
Average Mass1595.956
Monoisotopic Mass1594.90108
SMILESCCC(OC1CC(C)(O)C(OC2CCC(OC(=O)C(C)C(OC3CCC(O)C(C)O3)c3ccc4c(c3)C(=O)C=C(C)C4=O)C(C)O2)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)CCC(C)C(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)/C=C\C1C)CC(O)C2O
InChIInChI=1S/C83H134O29/c1-14-66(107-71-40-82(13,102)80(51(12)106-71)111-70-32-29-67(50(11)105-70)108-81(101)48(9)77(110-69-31-28-62(90)49(10)104-69)52-24-27-60-61(34-52)64(92)33-44(5)72(60)95)45(6)74(97)46(7)75(98)47(8)76-43(4)22-26-54(85)17-15-19-55(86)35-57(88)36-58(89)37-59-39-65(93)78(99)83(103,112-59)79(100)73(96)42(3)21-25-53(84)18-16-20-56(87)38-63(91)41(2)23-30-68(94)109-76/h22,24,26-27,33-34,41-43,45-51,53-59,62-63,65-67,69-71,73-78,80,84-91,93,96-99,102-103H,14-21,23,25,28-32,35-40H2,1-13H3/b26-22-
InChIKeyQDWLYIODVRIUPS-ROMGYVFFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32393809)
ChEBI Ontology
Outgoing Relation(s)
Iseolide A (CHEBI:223521) is a macrolide (CHEBI:25106)
IUPAC Name 
[6-[6-[5,7-dihydroxy-4,6-dimethyl-8-[(12E)-3,5,7,11,21,23,27,31,33,34,35-undecahydroxy-14,20,30-trimethyl-17,32-dioxo-16,37-dioxabicyclo[31.3.1]heptatriacont-12-en-15-yl]nonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] 3-(5-hydroxy-6-methyloxan-2-yl)oxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate