Structure Database (LMSD)

Common Name
Dorsmanin D
Systematic Name
Synonyms
LM ID
LMPK12112395
Formula
C26H28O7
Exact Mass
Calculate m/z
452.183505
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YRKLNCSPCWVPPC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O7/c1-13(2)6-9-16-21(28)17(10-7-14(3)4)26-20(22(16)29)23(30)24(31)25(33-26)15-8-11-18(27)19(12-15)32-5/h6-8,11-12,27-29,31H,9-10H2,1-5H3
SMILES (Click to copy)
C12=C(O)C(C/C=C(/C)\C)=C(O)C(C/C=C(\C)/C)=C1OC(C1=CC=C(O)C(OC)=C1)=C(O)C2=O

Other Databases

METABOLOMICS ID
FL5FADNI0002
PubChem CID
10599726

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 423.71
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.21
Molar Refractivity 127.51

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Updated at
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