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CHEBI:43849 - N-METHYL KIRROMYCIN

Default Structure
ChEBI IDCHEBI:43849
ChEBI NameN-METHYL KIRROMYCIN
Stars
DownloadsMolfile
FormulaC44H62N2O12
Net Charge0
Average Mass810.982
Monoisotopic Mass810.43028
SMILES[H]Oc1c([H])c([H])n(C([H])([H])[H])c(=O)c1C(=O)/C(=C([H])/C([H])=C([H])/C([H])=C(\[H])[C@@]1([H])O[C@@]([H])([C@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])/C(=C([H])/C([H])=C(\[H])C([H])([H])N([H])C(=O)[C@@]([H])(C([H])([H])C([H])([H])[H])[C@@]2(O[H])O[C@@]([H])(/C([H])=C([H])/C([H])=C(/[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]2([H])O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])[H]
InChIInChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1
InChIKeyNTAHMPNXQOYXSX-WKSONYIQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-METHYL KIRROMYCIN (CHEBI:43849) is a unclassifieds (CHEBI:27189)
Synonym  Source
N-METHYL KIRROMYCINPDBeChem
Manual XrefsDatabases
MAUPDBeChem