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CHEBI:95063 - LSM-6313

ChEBI IDCHEBI:95063
ChEBI NameLSM-6313
Stars
DownloadsMolfile
FormulaC47H68O17
Net Charge0
Average Mass905.044
Monoisotopic Mass904.44565
SMILESCCCC=CC=CC(=O)O[C@H]1C(=CC(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4CC(=CC(=O)OC)C[C@H](C=CC(C)(C)[C@]1(O)O2)O4)O3
InChIInChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
InChIKeyMJQUEDHRCUIRLF-KNUVDIFVSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-6313 (CHEBI:95063) has functional parent hexacarboxylic acid (CHEBI:59359)
LSM-6313 (CHEBI:95063) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
LSM-6313LINCS