Structure Database (LMSD)

Common Name
Deutzioside
Systematic Name
Synonyms
LM ID
LMPR0102070036
Formula
C15H22O9
Exact Mass
Calculate m/z
346.126385
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

String Representations

InChiKey (Click to copy)
QSOURIMNVDBNHL-HJJINUIOSA-N
InChi (Click to copy)
InChI=1S/C15H22O9/c1-4-3-21-14(7-6(4)9(18)13-12(7)23-13)24-15-11(20)10(19)8(17)5(2-16)22-15/h3,5-20H,2H2,1H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+,15+/m1/s1
SMILES (Click to copy)
O([C@@H]1OC=C(C)[C@@]2([H])[C@H](O)[C@@H]3O[C@@H]3[C@]21[H])[C@H]1[C@H](O)[C@H]([C@H](O)[C@H](O1)CO)O

Other Databases

KEGG ID
C11671
CHEBI ID
4458
PubChem CID
443352

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 295.09
Topological Polar Surface Area 145.51
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 0.30
Molar Refractivity 80.23

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Created at
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Updated at
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