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CHEBI:207398 - Tolypocladin K

ChEBI IDCHEBI:207398
ChEBI NameTolypocladin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43NO5
Net Charge0
Average Mass521.698
Monoisotopic Mass521.31412
SMILESCC(C)=CCc1ccc2c3c(nc2c1)[C@@]1(C)[C@@H](CC[C@@]2(O)[C@@]45O[C@@H]4[C@H](O)[C@@H](C(C)(C)O)O[C@H]5CC[C@@]21C)C3
InChIInChI=1S/C32H43NO5/c1-17(2)7-8-18-9-10-20-21-16-19-11-14-31(36)29(5,30(19,6)25(21)33-22(20)15-18)13-12-23-32(31)27(38-32)24(34)26(37-23)28(3,4)35/h7,9-10,15,19,23-24,26-27,33-36H,8,11-14,16H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKeyMDFJPAQEPZLTCB-JSVBYLJXSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30957928)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin K (CHEBI:207398) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin K (CHEBI:207398) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-21-(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol