Structure Database (LMSD)

Common Name
Dihydroechioidinin
Systematic Name
5,2'-Dihydroxy-7-methoxyflavanone
Synonyms
LM ID
LMPK12140126
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
Status
Curated
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)
RWLCJUJOUDVNQX-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-9-6-12(18)16-13(19)8-14(21-15(16)7-9)10-4-2-3-5-11(10)17/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
178318
METABOLOMICS ID
FL2FA8NS0006
PubChem CID
15491078

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 251.95
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.81
Molar Refractivity 75.08

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Updated at
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