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CHEBI:43594 - KIRROMYCIN

Default Structure
ChEBI IDCHEBI:43594
ChEBI NameKIRROMYCIN
Stars
DownloadsMolfile
FormulaC43H60N2O12
Net Charge0
Average Mass796.955
Monoisotopic Mass796.41463
SMILES[H]Oc1c([H])c([H])n([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/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1
InChIKeyHMSYAPGFKGSXAJ-PAHGNTJYSA-N
ChEBI Ontology
Outgoing Relation(s)
KIRROMYCIN (CHEBI:43594) is a unclassifieds (CHEBI:27189)
Synonym  Source
KIRROMYCINPDBeChem
Manual XrefsDatabases
KIRPDBeChem