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CHEBI:223524 - Iseolide B

ChEBI IDCHEBI:223524
ChEBI NameIseolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H134O28
Net Charge0
Average Mass1579.957
Monoisotopic Mass1578.90616
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)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)/C=C\C1C)O2
InChIInChI=1S/C83H134O28/c1-14-67(106-72-41-82(13,101)80(52(12)105-72)110-71-32-29-68(51(11)104-71)107-81(100)49(9)78(109-70-31-28-64(91)50(10)103-70)53-24-27-62-63(34-53)66(93)33-45(5)73(62)95)46(6)75(97)47(7)76(98)48(8)77-44(4)22-26-55(85)17-15-19-56(86)35-58(88)36-59(89)37-61-38-60(90)40-83(102,111-61)79(99)74(96)43(3)21-25-54(84)18-16-20-57(87)39-65(92)42(2)23-30-69(94)108-77/h22,24,26-27,33-34,42-44,46-52,54-61,64-65,67-68,70-72,74-78,80,84-92,96-98,101-102H,14-21,23,25,28-32,35-41H2,1-13H3/b26-22-
InChIKeyLTNORBABNJPGOB-ROMGYVFFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32393809)
ChEBI Ontology
Outgoing Relation(s)
Iseolide B (CHEBI:223524) is a macrolide (CHEBI:25106)
IUPAC Name 
[6-[6-[8-[(12E)-3,5,7,11,21,23,27,31,33,35-decahydroxy-14,20,30-trimethyl-17,32-dioxo-16,37-dioxabicyclo[31.3.1]heptatriacont-12-en-15-yl]-5,7-dihydroxy-4,6-dimethylnonan-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