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CHEBI:196153 - Macrophyllic acid A

ChEBI IDCHEBI:196153
ChEBI NameMacrophyllic acid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESCC1=C2C[C@H](/C=C/C(=O)O)CC[C@@]2(C)CCC1
InChIInChI=1S/C15H22O2/c1-11-4-3-8-15(2)9-7-12(10-13(11)15)5-6-14(16)17/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,17)/b6-5+/t12-,15-/m1/s1
InChIKeyCFUISBDJXHZKJK-OBLPCYNLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Macrophyllic acid A (CHEBI:196153) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
(E)-3-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
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