Structure Database (LMSD)

O OH HO O O OH HO HO O O O OH O OH
Common Name
Eriodictyol 5-methyl ether 7-O-xylosyl-(1->4)-arabinoside
Systematic Name
7,3',4'-Trihydroxy-5-methoxyflavanone 7-O-xylosyl-(1->4)-arabinoside
Synonyms
LM ID
LMPK12140559
Formula
C26H30O14
Exact Mass
Calculate m/z
566.16356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
DWVCLXSYYWRHGR-XBTYFXTGSA-N
InChi (Click to copy)
InChI=1S/C26H30O14/c1-35-17-5-11(6-18-20(17)14(29)7-16(39-18)10-2-3-12(27)13(28)4-10)38-25-24(34)22(32)19(9-37-25)40-26-23(33)21(31)15(30)8-36-26/h2-6,15-16,19,21-28,30-34H,7-9H2,1H3/t15-,16?,19+,21+,22+,23-,24-,25+,26+/m1/s1
SMILES (Click to copy)
C1(O[C@@H]2OC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(OC)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Triadica sebifera (#139772)
Magnoliopsida (#3398)
A flavanone glycoside from seeds of Sapium sebiferum,
Phytochemistry, 1981

Other Databases

METABOLOMICS ID
FL2FBCGS0001
PubChem CID
42608065

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 479.34
Topological Polar Surface Area 220.27
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 1.95
Molar Refractivity 135.17

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Created at
-
Updated at
18th Jun 2024