Structure Database (LMSD)

O OH OH OH OH HO O
Common Name
Gliricidol
Systematic Name
Synonyms
LM ID
LMPK12120586
Formula
C16H16O7
Exact Mass
Calculate m/z
320.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
GSFXRVSLBASDFL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H16O7/c1-23-16-14(21)4-8(5-15(16)22)11(18)7-13(20)10-3-2-9(17)6-12(10)19/h2-6,11,17-19,21-22H,7H2,1H3
SMILES (Click to copy)
C1(O)C=CC(C(=O)CC(O)C2C=C(O)C(OC)=C(O)C=2)=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL1DHYNS0001
PubChem CID
42607727

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 281.89
Topological Polar Surface Area 127.45
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 1.82
Molar Refractivity 80.00

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Updated at
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