Structure Database (LMSD)

Common Name
8-Hydroxy-3,4,9,10-tetramethoxypterocarpan
Systematic Name
Synonyms
LM ID
LMPK12070088
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
AAAQSJHHXMDZCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-21-13-6-5-9-14-11(8-25-15(9)18(13)23-3)10-7-12(20)17(22-2)19(24-4)16(10)26-14/h5-7,11,14,20H,8H2,1-4H3
SMILES (Click to copy)
C1(OC)C=CC2C3OC4=C(OC)C(OC)=C(O)C=C4C3COC=2C=1OC

Other Databases

METABOLOMICS ID
FLID3GNS0001
PubChem CID
44257463

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 311.71
Topological Polar Surface Area 79.75
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.32
Molar Refractivity 92.85

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Updated at
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