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CHEBI:223076 - Tolypocladin H

ChEBI IDCHEBI:223076
ChEBI NameTolypocladin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49NO6
Net Charge0
Average Mass603.800
Monoisotopic Mass603.35599
SMILESCC(C)=CCc1cccc2nc3c(c12)C[C@@H]1CC[C@]2(O)[C@](C)(CCC(=O)[C@@]24O[C@@H]4[C@@H]2O[C@H](C=C(C)C)OC(C)(C)[C@@H]2O)[C@@]31C
InChIInChI=1S/C37H49NO6/c1-20(2)12-13-22-10-9-11-25-28(22)24-19-23-14-17-36(41)34(7,35(23,8)30(24)38-25)16-15-26(39)37(36)32(44-37)29-31(40)33(5,6)43-27(42-29)18-21(3)4/h9-12,18,23,27,29,31-32,38,40-41H,13-17,19H2,1-8H3/t23-,27-,29+,31+,32+,34+,35+,36-,37-/m0/s1
InChIKeyQZBRONWINVVXQI-FOQDWJSNSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin H (CHEBI:223076) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,3'R,12S,15S,16S,20R)-15-hydroxy-3'-[(2S,4R,5R)-5-hydroxy-6,6-dimethyl-2-(2-methylprop-1-enyl)-1,3-dioxan-4-yl]-1,20-dimethyl-8-(3-methylbut-2-enyl)spiro[3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraene-16,2'-oxirane]-17-one