Structure Database (LMSD)

Common Name
Matricin
Systematic Name
Synonyms
LM ID
LMPR0103410003
Formula
C17H22O5
Exact Mass
Calculate m/z
306.146725
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Guaiane sesquiterpenoids [PR010341]

String Representations

InChiKey (Click to copy)
SYTRJRUSWMMZLV-VQGWEXQJSA-N
InChi (Click to copy)
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14-,15-,17+/m0/s1
SMILES (Click to copy)
O([C@H]1CC(C)=C2C=C[C@](O)(C)[C@]2([H])[C@@]2([H])OC([C@@H](C)[C@@]21[H])=O)C(=O)C

Other Databases

KEGG ID
C09499
CHEBI ID
6699
PubChem CID
92265

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 298.97
Topological Polar Surface Area 74.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 2.61
Molar Refractivity 80.19

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Updated at
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