Structure Database (LMSD)

OH HO HO OH O
Common Name
Kuwanol D
Systematic Name
Synonyms
LM ID
LMPK12120120
Formula
C25H28O5
Exact Mass
Calculate m/z
408.193675
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)
ARIUOJMONLRTJR-NNVJOTTFSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-8-18-13-19(24(29)15-23(18)28)9-12-22(27)21-11-10-20(26)14-25(21)30/h5,7,9-15,26,28-30H,4,6,8H2,1-3H3/b12-9+,17-7+
SMILES (Click to copy)
C1(O)=CC(O)=C(C/C=C(\C)/CC/C=C(/C)\C)C=C1/C=C/C(=O)C1C(O)=CC(O)=CC=1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0034017
METABOLOMICS ID
FL1C1LNI0002
PubChem CID
14539881

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 412.09
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.64
Molar Refractivity 119.03

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Updated at
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