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CHEBI:200934 - Trichoderonic acid A

ChEBI IDCHEBI:200934
ChEBI NameTrichoderonic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O6
Net Charge0
Average Mass312.362
Monoisotopic Mass312.15729
SMILESCOC[C@]1(O)CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)COC(=O)[C@@H]21
InChIInChI=1S/C16H24O6/c1-9(2)11-4-5-16(20,8-21-3)13-12(11)6-10(14(17)18)7-22-15(13)19/h6,9,11-13,20H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12-,13-,16-/m1/s1
InChIKeyGDHHKCMRHUSLJA-BRXULGCHSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies 638 (ncbitaxon:759270) - PubMed (20378979)
ChEBI Ontology
Outgoing Relation(s)
Trichoderonic acid A (CHEBI:200934) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6R,9S,9aS)-9-hydroxy-9-(methoxymethyl)-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
Manual XrefsDatabases
34501480ChemSpider