Structure Database (LMSD)

Common Name
Scutellarein 7-methyl ether 6-rhamnosyl-(1->4)-xyloside
Systematic Name
Synonyms
LM ID
LMPK12111146
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]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UUDKPWBINGHXLV-UIZAILJTSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-10-19(30)22(33)24(35)27(38-10)40-17-9-37-26(23(34)20(17)31)41-25-16(36-2)8-15-18(21(25)32)13(29)7-14(39-15)11-3-5-12(28)6-4-11/h3-8,10,17,19-20,22-24,26-28,30-35H,9H2,1-2H3/t10-,17+,19-,20-,22+,23+,24+,26-,27-/m0/s1
SMILES (Click to copy)
C1C(C2=CC(=O)C3C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)CO4)C(OC)=CC=3O2)=CC=C(O)C=1

Other Databases

METABOLOMICS ID
FL3FEAGS0042
PubChem CID
44258460

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 483.10
Topological Polar Surface Area 222.11
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 3.31
Molar Refractivity 142.62

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Created at
-
Updated at
4th Jan 2022