Structure Database (LMSD)

Common Name
(+)-beta-Phellandrene
Systematic Name
Synonyms
LM ID
LMPR0102090022
Formula
C10H16
Exact Mass
Calculate m/z
136.1252
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
LFJQCDVYDGGFCH-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1
SMILES (Click to copy)
[C@@H]1(C=CC(=C)CC1)C(C)C

References

Other Databases

KEGG ID
C09877
HMDB ID
HMDB0041633
CHEBI ID
53
PubChem CID
442484

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 163.92
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.16
Molar Refractivity 45.84

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Created at
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Updated at
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