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CHEBI:219194 - ACTG-toxin H

ChEBI IDCHEBI:219194
ChEBI NameACTG-toxin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESC/C(C=O)=C\CCC(C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)C(O)CC3
InChIInChI=1S/C21H28O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-19(25-21)8-7-18(23)20(16)24/h5,9,12,14,17-18,23H,4,6-8,10-11H2,1-3H3/b13-5+/t14?,17-,18?,21+/m0/s1
InChIKeyGDLZVHXDIRSIJQ-INUGJLMLSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (23139166)
ChEBI Ontology
Outgoing Relation(s)
ACTG-toxin H (CHEBI:219194) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-6-[(3aR,9aS)-7-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]-2-methylhept-2-enal