Structure Database (LMSD)

Systematic Name
7-Hydroxy-6,8-di-C-methylflavanone 7-O-arabinoside
Synonyms
LM ID
LMPK12140005
Formula
C22H24O7
Exact Mass
Calculate m/z
400.152205
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
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
RLPHVYYMPXVDER-SYNZBWTMSA-N
InChi (Click to copy)
InChI=1S/C22H24O7/c1-11-8-14-15(23)9-17(13-6-4-3-5-7-13)28-21(14)12(2)20(11)29-22-19(26)18(25)16(24)10-27-22/h3-8,16-19,22,24-26H,9-10H2,1-2H3/t16-,17?,18-,19+,22-/m0/s1
SMILES (Click to copy)
C1(C)C(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1

Other Databases

METABOLOMICS ID
FL2F19GM0001
PubChem CID
42607795

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 360.97
Topological Polar Surface Area 109.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.26
Molar Refractivity 105.60

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Created at
-
Updated at
26th Oct 2021