Structure Database (LMSD)

Common Name
Naringenin 5,7-dimethyl ether 4'-O-xylosyl-(1->4)-arabinoside
Systematic Name
4'-Hydroxy-5',7-dimethoxyflavanone 4'-O-xylosylarabinoside
Synonyms
LM ID
LMPK12140593
Formula
C27H32O13
Exact Mass
Calculate m/z
564.184295
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hibiscus mutabilis (#455430)
Magnoliopsida (#3398)
A new flavanone glycoside from the stem of Hibiscus mutabilis,
Phytochemistry, 1979
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
SVNWACIHAFUKAJ-HQXCPTSRSA-N
InChi (Click to copy)
InChI=1S/C27H32O13/c1-34-14-7-18(35-2)21-15(28)9-17(39-19(21)8-14)12-3-5-13(6-4-12)38-26-25(33)23(31)20(11-37-26)40-27-24(32)22(30)16(29)10-36-27/h3-8,16-17,20,22-27,29-33H,9-11H2,1-2H3/t16-,17?,20+,22+,23+,24-,25-,26+,27+/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O[C@@H]4OC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)=CC=3)CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL2FDAGS0001
PubChem CID
42608087

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 487.85
Topological Polar Surface Area 189.04
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 13
logP 2.55
Molar Refractivity 138.40

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Created at
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Updated at
18th Jun 2024