Structure Database (LMSD)

Common Name
2'-Hydroxymatteucinol
Systematic Name
5,7,2'-Trihydroxy-4'-methoxy-6,8-dimethylflavanone
Synonyms
LM ID
LMPK12140504
Formula
C18H18O6
Exact Mass
Calculate m/z
330.11034
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)
HQZOFVWMNZVZIG-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)11-5-4-10(23-3)6-12(11)19/h4-6,14,19,21-22H,7H2,1-3H3/t14-/m0/s1
SMILES (Click to copy)
C1(O)C(C)=C2O[C@H](C3C=CC(OC)=CC=3O)CC(=O)C2=C(O)C=1C

Other Databases

METABOLOMICS ID
FL2FALNM0002
PubChem CID
160396

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 295.34
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.14
Molar Refractivity 86.22

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Updated at
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