Structure Database (LMSD)

Common Name
Rhynchospermin
Systematic Name
Synonyms
LM ID
LMPK12112650
Formula
C22H22O7
Exact Mass
Calculate m/z
398.136555
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)
KONYWOHBNGVQST-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H22O7/c1-11(2)5-7-13-17(28-4)10-15(24)18-19(25)20(26)21(29-22(13)18)12-6-8-16(27-3)14(23)9-12/h5-6,8-10,23-24,26H,7H2,1-4H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(\C)/C)C2OC(C3C=C(O)C(OC)=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
178232
METABOLOMICS ID
FL5FCENI0001
PubChem CID
13896029

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 357.15
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.00
Molar Refractivity 109.26

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Updated at
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