Structure Database (LMSD)

Common Name
Glabratephrin
Systematic Name
Synonyms
LM ID
LMPK12110014
Formula
C24H20O7
Exact Mass
Calculate m/z
420.120905
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)
QSNBHLXYLHVCLT-QPPBQGQZSA-N
InChi (Click to copy)
InChI=1S/C24H20O7/c1-13(25)29-21-23(2,3)31-22(27)24(21)12-28-17-10-9-15-16(26)11-18(30-20(15)19(17)24)14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3/t21-,24+/m1/s1
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1[C@]3([C@H](OC(C)=O)C(C)(C)OC3=O)COC=1C=C2

Other Databases

METABOLOMICS ID
FL3F19NF0004
PubChem CID
12893624

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 364.39
Topological Polar Surface Area 96.18
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 5.11
Molar Refractivity 112.44

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Updated at
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