Structure Database (LMSD)

Common Name
(-)-Linderol A
Systematic Name
Linderol A
Synonyms
LM ID
LMPK12120212
Formula
C26H30O5
Exact Mass
Calculate m/z
422.209325
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)
XIYYPYFGGHPNHU-RCSCSQPYSA-N
InChi (Click to copy)
InChI=1S/C26H30O5/c1-4-8-17-13-14-26(2,29)25-21(17)23-20(30-3)15-19(28)22(24(23)31-25)18(27)12-11-16-9-6-5-7-10-16/h5-7,9-12,15,17,21,25,28-29H,4,8,13-14H2,1-3H3/b12-11+/t17-,21-,25+,26+/m0/s1
SMILES (Click to copy)
C1[C@@](C)(O)[C@]2([H])OC3C(C(/C=C/C4C=CC=CC=4)=O)=C(O)C=C(OC)C=3[C@]2([H])[C@@H](CCC)C1

Other Databases

CHEBI ID
197208
METABOLOMICS ID
FL1CA9NF0005
PubChem CID
42607591

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 409.95
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.68
Molar Refractivity 120.90

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Updated at
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