Structure Database (LMSD)

O O HO HO HO O HO O HO O O O OH
Common Name
Matteuorienate B
Systematic Name
Matterionate B
Synonyms
  • 5,7-Dihydroxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]
LM ID
LMPK12140135
Formula
C29H34O13
Exact Mass
Calculate m/z
590.199945
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
GFQPYMAACFELLT-IZPXHLOXSA-N
InChi (Click to copy)
InChI=1S/C29H34O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-8,17-18,23-25,28,34-38H,9-12H2,1-3H3,(H,31,32)/t17-,18+,23+,24-,25+,28-,29?/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(CC(O)=O)(O)C)=O)O2)C(C)=C(O)C2C(=O)C[C@@H](C3C=CC=CC=3)OC=2C=1C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FA9GM0004
PubChem CID
190959

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 4
Aromatic Rings 2
Rotatable Bonds 10
Van der Waals Molecular Volume 529.53
Topological Polar Surface Area 213.65
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
logP 3.06
Molar Refractivity 145.66

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Created at
-
Updated at
26th Oct 2021