Structure Database (LMSD)

O O O O O
Common Name
Gangetinin
Systematic Name
Synonyms
LM ID
LMPK12070098
Formula
C26H26O5
Exact Mass
Calculate m/z
418.178025
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
GYTBWEWXRFODTH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1C3OC4=C5C=CC(C)(C)OC5=CC=C4C3COC=1C=2

References

Taxonomy Information

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

Other Databases

CHEBI ID
185634
METABOLOMICS ID
FLIDBANP0002
PubChem CID
44257472

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 6
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 385.23
Topological Polar Surface Area 54.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 6.53
Molar Refractivity 120.04

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Created at
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Updated at
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