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CHEBI:173407 - Quadrangolin A

ChEBI IDCHEBI:173407
ChEBI NameQuadrangolin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@@]12C(=C)CCC[C@@]1(C)CC[C@H](C(=C)C(=O)O)[C@H]2O
InChIInChI=1S/C15H22O3/c1-9-5-4-7-15(3)8-6-11(10(2)14(17)18)13(16)12(9)15/h11-13,16H,1-2,4-8H2,3H3,(H,17,18)/t11-,12+,13-,15+/m1/s1
InChIKeyQTSQCCVLTMKKDP-COMQUAJESA-N
ChEBI Ontology
Outgoing Relation(s)
Quadrangolin A (CHEBI:173407) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2-[(1R,2R,4aS,8aR)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid