Structure database (LMSD)

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LM IDLMPR0102060002
Common Name(+)-cis-chrysanthemic acid
Systematic Name(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid
Synonyms(+)-cis-Chrysanthemumsaeure;(+)-cis-chrysanthemumic acid;(1R)-cis-
chrysanthemic acid;(1R,3S)-2,2-dimethyl-3-(2-methyl-1-propenyl)
cyclopropanecarboxylic acid;(1R,3S)-chrysanthemic acid;(1R-cis)-2,2-dimethyl-3-
(2-methyl-1-propenyl)cyclopropanecarboxylic acid; cis-(+)-chrysanthemic acid
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Cyclopropane and cyclobutane monoterpenoids [PR010206]
PubChem Compound ID (CID)33606
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID39104
InChIKeyXLOPRKKSAJMMEW-YUMQZZPRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/m
0/s1
SMILESCC(C)=C[C@@H]1[C@H](C(O)=O)C1(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings1Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
181.50Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.31Molar
Refractivity
47.83    
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