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CHEBI:219545 - Misakinolide A

ChEBI IDCHEBI:219545
ChEBI NameMisakinolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H128O20
Net Charge0
Average Mass1337.818
Monoisotopic Mass1336.89990
SMILESCO[C@H]1C[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(C)=C\C[C@H](O)C[C@@H]3C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)OC(=O)/C(C)=C\C[C@H](O)C[C@@H]4C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)O4)O3)O[C@@H](C)C1
InChIInChI=1S/C74H128O20/c1-41(25-29-59-35-61(85-13)31-45(5)89-59)69(81)51(11)71-49(9)65(79)39-63(77)47(7)67(87-15)37-57-21-18-20-56(92-57)34-54(76)28-24-44(4)74(84)94-72(52(12)70(82)42(2)26-30-60-36-62(86-14)32-46(6)90-60)50(10)66(80)40-64(78)48(8)68(88-16)38-58-22-17-19-55(91-58)33-53(75)27-23-43(3)73(83)93-71/h17-20,23-24,41-42,45-72,75-82H,21-22,25-40H2,1-16H3/b43-23-,44-24-/t41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-/m0/s1
InChIKeyCNXAVQHYRALFDY-WQFUWNSQSA-N
Species of MetaboliteComponentSourceComments
Candidatus Entotheonella (ncbitaxon:93171) - PubMed (29439203)
ChEBI Ontology
Outgoing Relation(s)
Misakinolide A (CHEBI:219545) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,5E,9S,10S,11R,13S,14S,15S,17S,21R,23S,25E,29S,30S,31R,33S,34S,35S,37S)-3,11,13,23,31,33-hexahydroxy-9,29-bis[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-15,35-dimethoxy-6,10,14,26,30,34-hexamethyl-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-5,19,25,39-tetraene-7,27-dione
Manual XrefsDatabases
4945377ChemSpider