Structure Database (LMSD)

Common Name
Grenoblone
Systematic Name
Synonyms
LM ID
LMPK12120597
Formula
C26H30O4
Exact Mass
Calculate m/z
406.21441
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QXEJNAWVPNHILD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O4/c1-17(2)13-16-26(5)23(29)21(20(27)12-11-18-9-7-6-8-10-18)22(28)19-14-15-25(3,4)30-24(19)26/h6-10,13-15,28H,11-12,16H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C(O)=C(C(=O)CCC1C=CC=CC=1)C(=O)C2(C/C=C(\C)/C)C

Other Databases

METABOLOMICS ID
FL1DQUNP0001
PubChem CID
42607732

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 421.78
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.85
Molar Refractivity 118.43

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Updated at
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