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CHEBI:44100 - MENOGARIL

Default Structure
ChEBI IDCHEBI:44100
ChEBI NameMENOGARIL
Stars
DownloadsMolfile
FormulaC28H31NO10
Net Charge0
Average Mass541.553
Monoisotopic Mass541.19480
SMILES[H]Oc1c([H])c2c(c3c1C(=O)c1c(O[H])c4c(c([H])c1C3=O)C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])[C@@]4([H])OC([H])([H])[H])O[C@]1([H])O[C@@]2(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[H]
InChIInChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1
InChIKeyLWYJUZBXGAFFLP-OCNCTQISSA-N
ChEBI Ontology
Outgoing Relation(s)
MENOGARIL (CHEBI:44100) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dionePDBeChem
MENOGARILPDBeChem
Manual XrefsDatabases
MNGPDBeChem