Structure Database (LMSD)

Common Name
Gangetin
Systematic Name
Synonyms
LM ID
LMPK12070099
Formula
C26H28O5
Exact Mass
Calculate m/z
420.193675
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FUNJPZFUOULIEZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)9-8-15-18-13-29-21-12-20-17(10-11-26(3,4)31-20)24(28-5)22(21)25(18)30-23(15)16/h6,8-12,18,25,27H,7,13H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1C3OC4=C(C/C=C(/C)\C)C(O)=CC=C4C3COC=1C=2

Other Databases

CHEBI ID
185464
METABOLOMICS ID
FLIDBANP0003
PubChem CID
317611

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 397.59
Topological Polar Surface Area 63.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 6.27
Molar Refractivity 120.58

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Updated at
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