Structure Database (LMSD)

Common Name
8-Prenylquercetin 4'-methyl ether 3-rhamnoside
Systematic Name
Synonyms
  • Caohuoside C
LM ID
LMPK12112404
Formula
C27H30O11
Exact Mass
Calculate m/z
530.178815
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)
MJCAZJRHCYZNAX-ABEYBZLDSA-N
InChi (Click to copy)
InChI=1S/C27H30O11/c1-11(2)5-7-14-15(28)10-17(30)19-21(32)26(38-27-23(34)22(33)20(31)12(3)36-27)24(37-25(14)19)13-6-8-18(35-4)16(29)9-13/h5-6,8-10,12,20,22-23,27-31,33-34H,7H2,1-4H3/t12-,20-,22+,23+,27-/m0/s1
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C(O)C(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FAEGI0001
PubChem CID
102471953

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 466.45
Topological Polar Surface Area 181.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 4.63
Molar Refractivity 138.25

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Created at
-
Updated at
21st Dec 2021