Structure Database (LMSD)

Systematic Name
5,2'-Dihydroxy-6,7-methylenedioxyflavanone
Synonyms
LM ID
LMPK12140602
Formula
C16H12O6
Exact Mass
Calculate m/z
300.06339
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)
CFAXKRNPHJYYNQ-NSHDSACASA-N
InChi (Click to copy)
InChI=1S/C16H12O6/c17-9-4-2-1-3-8(9)11-5-10(18)14-12(22-11)6-13-16(15(14)19)21-7-20-13/h1-4,6,11,17,19H,5,7H2/t11-/m0/s1
SMILES (Click to copy)
C12OCOC=1C(O)=C1C(=O)C[C@@H](C3C=CC=CC=3O)OC1=C2

Other Databases

METABOLOMICS ID
FL2FE8NS0004
PubChem CID
42608090

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 248.38
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.53
Molar Refractivity 74.65

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