Structure Database (LMSD)

Systematic Name
(2S)-6,7-Dihydroxy-5-methoxyflavanone 7-O-glucoside
Synonyms
LM ID
LMPK12140606
Formula
C22H24O10
Exact Mass
Calculate m/z
448.13695
Status
Curated
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
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Cephalocereus senilis (#223054)
Magnoliopsida (#3398)
Flavonoids from elicitor-treated cell suspension cultures of Cephalocereus senilis,
Phytochemistry, 1993

String Representations

InChiKey (Click to copy)
CPXZISWNTZFBER-HDZXICIOSA-N
InChi (Click to copy)
InChI=1S/C22H24O10/c1-29-21-16-11(24)7-12(10-5-3-2-4-6-10)30-13(16)8-14(18(21)26)31-22-20(28)19(27)17(25)15(9-23)32-22/h2-6,8,12,15,17,19-20,22-23,25-28H,7,9H2,1H3/t12-,15+,17+,19-,20+,22+/m0/s1
SMILES (Click to copy)
C1(O)C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2O[C@H](C3C=CC=CC=3)CC(=O)C=2C=1OC

Other Databases

CHEBI ID
197281
METABOLOMICS ID
FL2FE9GS0002
PubChem CID
10321419

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 387.34
Topological Polar Surface Area 159.28
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 2.00
Molar Refractivity 110.86

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Created at
-
Updated at
1st Jul 2025