CHEBI:173407 - Quadrangolin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quadrangolin A
ChEBI ID CHEBI:173407
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=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
InChIKey QTSQCCVLTMKKDP-COMQUAJESA-N
SMILES O[C@H]1[C@]2([C@](CC[C@@H]1C(C(O)=O)=C)(CCCC2=C)C)[H]
ChEBI Ontology
Outgoing 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