Structure Database (LMSD)

Common Name
8-C-Rhamnopyranosylluteolin 7-O-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12110629
Formula
C27H30O14
Exact Mass
Calculate m/z
578.16356
Status
Active
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)
MLTIJPSFPUIQNN-PBMLQHRUSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-8-19(32)21(34)23(36)26(38-8)18-16(41-27-24(37)22(35)20(33)9(2)39-27)7-14(31)17-13(30)6-15(40-25(17)18)10-3-4-11(28)12(29)5-10/h3-9,19-24,26-29,31-37H,1-2H3/t8-,9-,19-,20-,21+,22+,23+,24+,26-,27-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=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

Other Databases

METABOLOMICS ID
FL3FACDS0021
PubChem CID
101422756

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 483.10
Topological Polar Surface Area 244.11
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 2.80
Molar Refractivity 141.92

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Created at
-
Updated at
9th Jan 2022