Structure Database (LMSD)

O O OH HO O
Common Name
Glycyrdione B
Systematic Name
Synonyms
LM ID
LMPK12120393
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
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)
XTBSNHSJEVANCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-15(2)5-6-17-12-19(23(29)14-21(17)27)22(28)13-20(26)16-7-8-24-18(11-16)9-10-25(3,4)30-24/h5,7-12,14,27,29H,6,13H2,1-4H3
SMILES (Click to copy)
C1C2C=C(C(=O)CC(=O)C3C=C(C/C=C(/C)\C)C(O)=CC=3O)C=CC=2OC(C)(C)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CHYNP0009
PubChem CID
15742119

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 399.73
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.53
Molar Refractivity 116.88

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Created at
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Updated at
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