Structure Database (LMSD)

Common Name
8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside
Systematic Name
3-[[6-Deoxy-4-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
Synonyms
LM ID
LMPK12112644
Formula
Exact Mass
Calculate m/z
690.252376
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Butea monosperma (#56060)
Magnoliopsida (#3398)
A novel flavonoid glycoside from Butea monosperma,
J Inst Chem (India), 1998

String Representations

InChiKey (Click to copy)
NSBMHMYRKNRGCQ-LZWAGGJNSA-N
InChi (Click to copy)
InChI=1S/C34H42O15/c1-13(2)7-9-17-21(44-6)12-19(36)22-24(38)32(30(47-31(17)22)16-8-10-20(43-5)18(35)11-16)49-34-28(42)26(40)29(15(4)46-34)48-33-27(41)25(39)23(37)14(3)45-33/h7-8,10-12,14-15,23,25-29,33-37,39-42H,9H2,1-6H3/t14-,15-,23-,25+,26-,27+,28+,29-,33-,34-/m0/s1
SMILES (Click to copy)
C1C=C(OC)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](C)O2)C(=O)C2C(O)=CC(OC)=C(C/C=C(/C)\C)C=2O1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 5
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 610.35
Topological Polar Surface Area 231.34
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 15
logP 5.22
Molar Refractivity 176.92

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Created at
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Updated at
8th Jul 2026