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CHEBI:40058 - 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE

Default Structure
ChEBI IDCHEBI:40058
ChEBI Name1,2,3,4-TETRAHYDROGEN-STAUROSPORINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC28H30N4O3
Net Charge0
Average Mass470.573
Monoisotopic Mass470.23179
SMILES[H]c1c([H])c([H])c2c(c1[H])c1c3c(c4c5c(n6c4c1n2[C@@]1(C([H])([H])[H])O[C@]6([H])C([H])([H])[C@@]([H])(N([H])C([H])([H])[H])[C@@]1([H])OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C5([H])[H])C(=O)N([H])C3([H])[H]
InChIInChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChIKeyKIZWKTROWIIMNN-FYTWVXJKSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2,3,4-TETRAHYDROGEN-STAUROSPORINE (CHEBI:40058) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,2,3,4-TETRAHYDROGEN-STAUROSPORINEPDBeChem
(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13,15,16-decahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-onePDBeChem
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