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CHEBI:198772 - Trichoderic acid

ChEBI IDCHEBI:198772
ChEBI NameTrichoderic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C[C@@H]2O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@@H]2CC1
InChIInChI=1S/C15H22O3/c1-9-4-6-12-11(3)13(18-14(12)8-9)7-5-10(2)15(16)17/h5,8,11-14H,4,6-7H2,1-3H3,(H,16,17)/b10-5+/t11-,12-,13-,14-/m0/s1
InChIKeyACWHPYSUDDTJQF-MBAHPQJTSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (21922660)
ChEBI Ontology
Outgoing Relation(s)
Trichoderic acid (CHEBI:198772) is a benzofurans (CHEBI:35259)
IUPAC Name 
(E)-4-[(2S,3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzouran-2-yl]-2-methylbut-2-enoic acid
Manual XrefsDatabases
28289048ChemSpider