Structure Database (LMSD)

Common Name
6,8-Di-C-rhamnopyranosylluteolin
Systematic Name
Synonyms
LM ID
LMPK12110507
Formula
C27H30O14
Exact Mass
Calculate m/z
578.16356
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UZQZUGANRMSXPO-PNHGXYHPSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-7-17(31)21(35)23(37)26(39-7)15-19(33)14-12(30)6-13(9-3-4-10(28)11(29)5-9)41-25(14)16(20(15)34)27-24(38)22(36)18(32)8(2)40-27/h3-8,17-18,21-24,26-29,31-38H,1-2H3/t7-,8-,17-,18-,21+,22+,23+,24+,26-,27-/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(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1

Other Databases

METABOLOMICS ID
FL3FACCS0039
PubChem CID
101422757

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 483.10
Topological Polar Surface Area 255.11
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 14
logP 2.56
Molar Refractivity 141.40

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Created at
-
Updated at
5th Jan 2022