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CHEBI:42116 - DIHYDROMICROCYSTIN-LA

Default Structure
ChEBI IDCHEBI:42116
ChEBI NameDIHYDROMICROCYSTIN-LA
Stars
DownloadsMolfile
FormulaC46H71N7O12
Net Charge0
Average Mass914.111
Monoisotopic Mass913.51607
SMILES[H]OC(=O)/C1=N\C(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])N([H])C(=O)[C@]([H])(C([H])([H])[H])N([H])C(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(C(=O)O[H])N([H])C(=O)[C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)[C@@]([H])(C([H])([H])[H])N([H])C(=O)[C@]([H])(C([H])([H])[H])N(C([H])([H])[H])C(=O)C([H])([H])C1([H])[H]
InChIInChI=1S/C46H71N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-16,24-31,33,35-36,38H,17-23H2,1-11H3,(H,47,56)(H,48,59)(H,49,57)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b50-34-/t25-,26+,27+,28+,29+,30-,31+,33+,35+,36+,38-/m1/s1
InChIKeyQFLFLIKKNNTVJN-PVKWZHKGSA-N
ChEBI Ontology
Outgoing Relation(s)
DIHYDROMICROCYSTIN-LA (CHEBI:42116) is a unclassifieds (CHEBI:27189)
Synonym  Source
DIHYDROMICROCYSTIN-LAPDBeChem
Manual XrefsDatabases
DLQPDBeChem