Structure Database (LMSD)

Common Name
Matterionate A
Systematic Name
Synonyms
  • 5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]
LM ID
LMPK12140332
Formula
C30H36O14
Exact Mass
Calculate m/z
620.21051
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SMLRKPPCBXFZQW-SKAYDIONSA-N
InChi (Click to copy)
InChI=1S/C30H36O14/c1-13-23(35)22-17(31)9-18(15-5-7-16(40-4)8-6-15)42-28(22)14(2)27(13)44-29-26(38)25(37)24(36)19(43-29)12-41-21(34)11-30(3,39)10-20(32)33/h5-8,18-19,24-26,29,35-39H,9-12H2,1-4H3,(H,32,33)/t18-,19+,24+,25-,26+,29-,30?/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(C)(O)CC(=O)O)=O)O2)C(C)=C(O)C2C(=O)C[C@@H](C3C=CC(OC)=CC=3)OC=2C=1C

Other Databases

METABOLOMICS ID
FL2FABGM0005
PubChem CID
190958

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 4
Aromatic Rings 2
Rotatable Bonds 11
Van der Waals Molecular Volume 555.62
Topological Polar Surface Area 222.88
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 14
logP 3.07
Molar Refractivity 152.22

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Created at
-
Updated at
26th Oct 2021