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CHEBI:223033 - Tolypocladin A

ChEBI IDCHEBI:223033
ChEBI NameTolypocladin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43NO5
Net Charge0
Average Mass521.698
Monoisotopic Mass521.31412
SMILESCC(C)=CCc1cccc2nc3c(c12)C[C@@H]1CC[C@@]2(O)[C@@]45O[C@@H]4[C@H](O)[C@@H](C(C)(C)O)O[C@H]5CC[C@]2(C)[C@@]31C
InChIInChI=1S/C32H43NO5/c1-17(2)10-11-18-8-7-9-21-23(18)20-16-19-12-15-31(36)29(5,30(19,6)25(20)33-21)14-13-22-32(31)27(38-32)24(34)26(37-22)28(3,4)35/h7-10,19,22,24,26-27,33-36H,11-16H2,1-6H3/t19-,22-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKeyRQTDORUGVRDBLB-WQRLADHGSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin A (CHEBI:223033) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin A (CHEBI:223033) 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-19-(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),18,20,22-tetraene-8,12-diol
Manual XrefsDatabases
128440712ChemSpider