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CHEBI:223082 - Tolypocladin I

ChEBI IDCHEBI:223082
ChEBI NameTolypocladin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H51NO8
Net Charge0
Average Mass637.814
Monoisotopic Mass637.36147
SMILESCC(C)(O)[C@@H](O)Cc1cccc2nc3c(c12)C[C@@H]1CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H]4O[C@H]([C@H]6OC6(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@]2(C)[C@@]31C
InChIInChI=1S/C37H51NO8/c1-31(2,40)22(39)16-18-10-9-11-21-24(18)20-17-19-12-15-36(41)34(7,35(19,8)26(20)38-21)14-13-23-37(36)28(45-37)25-27(42-23)32(3,4)46-30(43-25)29-33(5,6)44-29/h9-11,19,22-23,25,27-30,38-41H,12-17H2,1-8H3/t19-,22-,23-,25+,27-,28+,29+,30-,34+,35+,36-,37-/m0/s1
InChIKeyZMDRKHHGUIZHEC-ANDMQSNYSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin I (CHEBI:223082) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin I (CHEBI:223082) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-22-[(2S)-3,3-dimethyloxiran-2-yl]-16-hydroxy-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-9-yl]-3-methylbutane-2,3-diol