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CHEBI:220252 - Symplocolide A

ChEBI IDCHEBI:220252
ChEBI NameSymplocolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H132O22
Net Charge0
Average Mass1373.848
Monoisotopic Mass1372.92103
SMILESCOC1CC(O)CC(=O)OC(C(C)C(O)C(C)CCC2CC(OC)CC(C)O2)C(C)C(O)CC(O)C(C)C(OC)CC2CC=CC(CC(OC)CC(O)CC(=O)OC(C(C)C(O)C(C)CCC3CC(OC)CC(C)O3)C(C)C(O)CC(O)C(C)C(OC)CC3CC=CC(C1)O3)O2
InChIInChI=1S/C74H132O22/c1-41(23-25-57-35-59(85-11)27-43(3)91-57)71(83)49(9)73-47(7)65(79)39-63(77)45(5)67(89-15)37-55-21-18-20-54(94-55)34-62(88-14)30-52(76)32-70(82)96-74(50(10)72(84)42(2)24-26-58-36-60(86-12)28-44(4)92-58)48(8)66(80)40-64(78)46(6)68(90-16)38-56-22-17-19-53(93-56)33-61(87-13)29-51(75)31-69(81)95-73/h17-20,41-68,71-80,83-84H,21-40H2,1-16H3
InChIKeyLVTYKMKIIOONPM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (32045230)
ChEBI Ontology
Outgoing Relation(s)
Symplocolide A (CHEBI:220252) is a macrolide (CHEBI:25106)
IUPAC Name 
5,11,13,25,31,33-hexahydroxy-9,29-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-3,15,23,35-tetramethoxy-10,14,30,34-tetramethyl-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-19,39-diene-7,27-dione
Manual XrefsDatabases
81409472ChemSpider