Structure Database (LMSD)

Common Name
Cyrtopterin
Systematic Name
Synonyms
LM ID
LMPK12140232
Formula
C23H26O10
Exact Mass
Calculate m/z
462.1526
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WBNRHHBGMFXQKL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H26O10/c1-9-17(27)16-13(26)7-14(11-3-5-12(25)6-4-11)31-22(16)10(2)21(9)33-23-20(30)19(29)18(28)15(8-24)32-23/h3-6,14-15,18-20,23-25,27-30H,7-8H2,1-2H3
SMILES (Click to copy)
C1(OC2OC(CO)C(O)C(O)C2O)=C(C)C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
186025
METABOLOMICS ID
FL2FAAGM0002
PubChem CID
42607898

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 404.64
Topological Polar Surface Area 170.28
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 2.32
Molar Refractivity 115.45

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Updated at
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