Structure Database (LMSD)

O O HO O O O
Common Name
Mundulone
Systematic Name
Synonyms
LM ID
LMPK12050079
Formula
C26H26O6
Exact Mass
Calculate m/z
434.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

String Representations

InChiKey (Click to copy)
KJTDZAHLWHEULN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O6/c1-25(2)9-8-16-19(31-25)7-6-15(24(16)29-5)18-13-30-21-12-20-14(10-17(21)23(18)28)11-22(27)26(3,4)32-20/h6-10,12-13,22,27H,11H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C(O)CC1=CC1C(=O)C(C3C=CC4OC(C)(C)C=CC=4C=3OC)=COC=1C=2

References

Taxonomy Information

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

Other Databases

CHEBI ID
185207
METABOLOMICS ID
FLIA1LNP0006
PubChem CID
4587968

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 392.84
Topological Polar Surface Area 82.27
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 6.49
Molar Refractivity 124.27

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Updated at
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