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CHEBI:223069 - Tolypocladin G

ChEBI IDCHEBI:223069
ChEBI NameTolypocladin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H51NO7
Net Charge0
Average Mass621.815
Monoisotopic Mass621.36655
SMILESCC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4Cc5c(nc6cc(C[C@H](O)C(C)(C)O)ccc56)[C@@]43C)O[C@@H]2C(C)(C)O1
InChIInChI=1S/C37H51NO7/c1-19(2)15-27-43-28-30(33(5,6)44-27)42-26-12-13-34(7)35(8)21(11-14-36(34,41)37(26)31(28)45-37)18-23-22-10-9-20(16-24(22)38-29(23)35)17-25(39)32(3,4)40/h9-10,15-16,21,25-28,30-31,38-41H,11-14,17-18H2,1-8H3/t21-,25-,26-,27-,28+,30-,31+,34+,35+,36-,37-/m0/s1
InChIKeyLSIZNUFKUJUHND-VKCNXYGBSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin G (CHEBI:223069) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin G (CHEBI:223069) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-enyl)-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(10),6,8-tetraen-7-yl]-3-methylbutane-2,3-diol
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128440828ChemSpider