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CHEBI:181700 - 10-Acetyl-trichoderonic-acid

ChEBI IDCHEBI:181700
ChEBI Name10-Acetyl-trichoderonic-acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILES[H][C@@]12C(=O)OCC(C(=O)O)=C[C@]1([H])[C@H](C(C)C)CC[C@@]2(CO)OC(C)=O
InChIInChI=1S/C17H24O7/c1-9(2)12-4-5-17(8-18,24-10(3)19)14-13(12)6-11(15(20)21)7-23-16(14)22/h6,9,12-14,18H,4-5,7-8H2,1-3H3,(H,20,21)/t12-,13+,14-,17-/m0/s1
InChIKeyKFGVZDDPPJMMTR-LOUJCGABSA-N
ChEBI Ontology
Outgoing Relation(s)
10-Acetyl-trichoderonic-acid (CHEBI:181700) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5aS,6S,9R,9aR)-9-acetyloxy-9-(hydroxymethyl)-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid