Structure Database (LMSD)

Common Name
2,3-Dehydrokievitol
Systematic Name
Synonyms
LM ID
LMPK12050299
Formula
C20H18O7
Exact Mass
Calculate m/z
370.105255
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UFCGXNZEVGKUQA-WTDSWWLTSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,9,21-25H,4,8H2,1H3/b10-2+
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=C(O)C=C(O)C=C3)=COC=2C=1C/C=C(\C)/CO

Other Databases

HMDB ID
HMDB0038900
CHEBI ID
175756
METABOLOMICS ID
FLIAALNI0014
PubChem CID
44257318

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 322.55
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 3.95
Molar Refractivity 99.72

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Updated at
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