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CHEBI:223530 - Iseolide C

ChEBI IDCHEBI:223530
ChEBI NameIseolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC84H136O29
Net Charge0
Average Mass1609.983
Monoisotopic Mass1608.91673
SMILESCCC(OC1CC(C)(O)C(OC2CCC(OC(=O)C(CC)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/C84H136O29/c1-14-60(78(111-70-32-29-63(91)49(10)105-70)52-25-28-61-62(35-52)65(93)34-45(6)73(61)96)82(102)109-68-30-33-71(106-50(68)11)112-81-51(12)107-72(41-83(81,13)103)108-67(15-2)46(7)75(98)47(8)76(99)48(9)77-44(5)23-27-54(86)18-16-20-55(87)36-57(89)37-58(90)38-59-40-66(94)79(100)84(104,113-59)80(101)74(97)43(4)22-26-53(85)19-17-21-56(88)39-64(92)42(3)24-31-69(95)110-77/h23,25,27-28,34-35,42-44,46-51,53-60,63-64,66-68,70-72,74-79,81,85-92,94,97-100,103-104H,14-22,24,26,29-33,36-41H2,1-13H3/b27-23-
InChIKeyHYFNRBZMFCJORS-VYIQYICTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32393809)
ChEBI Ontology
Outgoing Relation(s)
Iseolide C (CHEBI:223530) 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] 2-[(5-hydroxy-6-methyloxan-2-yl)oxy-(6-methyl-5,8-dioxonaphthalen-2-yl)methyl]butanoate