Structure Database (LMSD)

Common Name
2-Hydroxy-7,8-dehydrograndiflorone
Systematic Name
Synonyms
LM ID
LMPK12120415
Formula
C19H20O5
Exact Mass
Calculate m/z
328.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MMHKTAWKXGOREF-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C19H20O5/c1-18(2)15(22)14(16(23)19(3,4)17(18)24)13(21)10-9-11-7-5-6-8-12(11)20/h5-10,20,22H,1-4H3/b10-9+
SMILES (Click to copy)
C1=CC=CC(O)=C1/C=C/C(=O)C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O

Other Databases

METABOLOMICS ID
FL1CQUNM0002
PubChem CID
21638390

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 324.47
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.99
Molar Refractivity 89.38

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Updated at
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