Structure Database (LMSD)

Common Name
6a,7-Dihydroxymaackiain
Systematic Name
3,6a,7-Trihydroxy-8,9-methylenedioxypterocarpan
Synonyms
LM ID
LMPK12070135
Formula
C16H12O7
Exact Mass
Calculate m/z
316.058305
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
KVZNRXOMVOCEBF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O7/c17-7-1-2-8-9(3-7)20-5-16(19)12-10(23-15(8)16)4-11-14(13(12)18)22-6-21-11/h1-4,15,17-19H,5-6H2
SMILES (Click to copy)
C1(O)C=CC2C3OC4=CC5OCOC=5C(O)=C4C3(O)COC=2C=1

Other Databases

METABOLOMICS ID
FLIDHXNS0010
PubChem CID
44257489

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 247.45
Topological Polar Surface Area 105.89
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 1.82
Molar Refractivity 75.59

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Updated at
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