Structure database (LMSD)

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LM IDLMPR0102070022
Common Name8-Epiiridodial
Systematic Name-
Synonyms-
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]
PubChem CID443334
KEGG IDC11651
InChIKeyOJGPEAXUHQRLNC-PEBGCTIMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8-,9-,10-/m1/s1
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SMILES
O[C@@H]1OC=C(C)[C@@]2([H])CC[C@@H](C)[C@]21[H]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
171.78Topological Polar
Surface Area
31.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.19Molar
Refractivity
46.74