Structure Database (LMSD)

Common Name
Sigmoidin G
Systematic Name
Synonyms
LM ID
LMPK12140424
Formula
C20H20O8
Exact Mass
Calculate m/z
388.11582
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UHWLHTOOVRRTDW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-20(2)19(26)17(25)10-3-8(4-13(24)18(10)28-20)14-7-12(23)16-11(22)5-9(21)6-15(16)27-14/h3-6,14,17,19,21-22,24-26H,7H2,1-2H3
SMILES (Click to copy)
C1C(O)=CC2OC(C3C=C4C(O)C(O)C(C)(C)OC4=C(O)C=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
156111
METABOLOMICS ID
FL2FACNP0007
PubChem CID
42608001

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 335.16
Topological Polar Surface Area 140.82
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.65
Molar Refractivity 96.89

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Updated at
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