Structure Database (LMSD)

Common Name
Glabratephrinol
Systematic Name
Synonyms
LM ID
LMPK12110013
Formula
C22H18O6
Exact Mass
Calculate m/z
378.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GSGHBAQDHGCTPP-UGKGYDQZSA-N
InChi (Click to copy)
InChI=1S/C22H18O6/c1-21(2)19(24)22(20(25)28-21)11-26-15-9-8-13-14(23)10-16(27-18(13)17(15)22)12-6-4-3-5-7-12/h3-10,19,24H,11H2,1-2H3/t19-,22-/m0/s1
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1[C@]3([C@@H](O)C(C)(C)OC3=O)COC=1C=C2

Other Databases

METABOLOMICS ID
FL3F19NF0003
PubChem CID
44257568

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 323.64
Topological Polar Surface Area 90.11
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.54
Molar Refractivity 102.89

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Updated at
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