Structure Database (LMSD)

Common Name
2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-luteolin
Systematic Name
Synonyms
LM ID
LMPK12110520
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)
QXHHBGFIPDPRAX-SGLOTMMYSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3/t8-,9-,19-,20+,22+,23+,24+,25+,26-,27-/m0/s1
SMILES (Click to copy)
O([C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)[C@H]1[C@H](O)[C@H](O)[C@H](C)O[C@@H]1C1C(=CC2OC(=CC(C=2C=1O)=O)C1=CC(=C(C=C1)O)O)O

Other Databases

METABOLOMICS ID
FL3FACCS0052
PubChem CID
10793311

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 3.15
Molar Refractivity 141.83

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Created at
-
Updated at
9th Jan 2022