Structure Database (LMSD)

Systematic Name
5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside
Synonyms
LM ID
LMPK12112756
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MLZXHJBYYFPYBF-UFGFRKJLSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-8-16(27)18(29)19(30)22(33-8)15-12(26)7-11(25)14-17(28)23(32-3)20(34-21(14)15)9-4-5-13(31-2)10(24)6-9/h4-8,16,18-19,22,24-27,29-30H,1-3H3/t8-,16-,18+,19+,22-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C2OC(C3C=C(O)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FDECS0001
PubChem CID
44259695

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 399.89
Topological Polar Surface Area 181.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 3.18
Molar Refractivity 119.48

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Created at
-
Updated at
23rd Dec 2021