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CHEBI:212099 - Talarotoxin

ChEBI IDCHEBI:212099
ChEBI NameTalarotoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO3
Net Charge0
Average Mass435.608
Monoisotopic Mass435.27734
SMILESC/C=C(\C)[C@H]1C(C)=C[C@H]2CCCCC2[C@@]1(C)/C=C/C=C/C(=O)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C28H37NO3/c1-5-18(2)25-19(3)17-20-11-6-7-14-23(20)28(25,4)16-9-8-15-24(30)29-26(31)21-12-10-13-22(21)27(29)32/h5,8-9,15-17,20-23,25H,6-7,10-14H2,1-4H3/b15-8+,16-9+,18-5+/t20-,21?,22?,23?,25+,28-/m1/s1
InChIKeyOPBKCVBPFPSVJL-NBDSLJCKSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (7793924)
ChEBI Ontology
Outgoing Relation(s)
Talarotoxin (CHEBI:212099) is a N-acylpyrrolidine (CHEBI:46766)
IUPAC Name 
2-[(2E,4E)-5-[(1R,2S,4aR)-2-[(E)-but-2-en-2-yl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]penta-2,4-dienoyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
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78445263ChemSpider