Structure Database (LMSD)

Systematic Name
3,6,7-Trihydroxy-4'-methoxyflavone 7-rhamnoside
Synonyms
LM ID
LMPK12111586
Formula
Exact Mass
Calculate m/z
446.1213
Status
Curated

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ICWFJNMXUFYHBV-GNLYSGSASA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-9-16(24)18(26)20(28)22(30-9)32-15-8-14-12(7-13(15)23)17(25)19(27)21(31-14)10-3-5-11(29-2)6-4-10/h3-9,16,18,20,22-24,26-28H,1-2H3/t9-,16-,18+,20+,22-/m0/s1
SMILES (Click to copy)
C1C=C(OC)C=CC=1C1=C(O)C(=O)C2C=C(O)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 373.80
Topological Polar Surface Area 161.12
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 3.42
Molar Refractivity 113.45

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Created at
-
Updated at
23rd Dec 2021