Structure Database (LMSD)

HO O O O HO OH
Common Name
Kuwanon D
Systematic Name
Synonyms
LM ID
LMPK12140528
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IJVOVAHXZFALHZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-24(2)14-4-5-25(3)23(14)22(24)13-8-12(15(27)9-19(13)31-25)18-10-17(29)21-16(28)6-11(26)7-20(21)30-18/h6-9,14,18,22-23,26-28H,4-5,10H2,1-3H3
SMILES (Click to copy)
C1C(O)=CC2OC(C3C(O)=CC4OC5(C)CCC6C5C(C6(C)C)C=4C=3)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0030861
CHEBI ID
175376
METABOLOMICS ID
FL2FALNR0001
PubChem CID
3081548

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 6
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 379.36
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.10
Molar Refractivity 112.48

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Updated at
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