Structure Database (LMSD)

HO OH O HO O OH O O O O OH HO
Common Name
Okanin 4-methyl ether 3'-(6''-acetylglucoside)
Systematic Name
Synonyms
LM ID
LMPK12120168
Formula
C24H26O12
Exact Mass
Calculate m/z
506.14243
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
XXOXVVPQGPERBF-ZDGYPDRMSA-N
InChi (Click to copy)
InChI=1S/C24H26O12/c1-11(25)34-10-18-20(30)21(31)22(32)24(35-18)36-23-15(27)7-5-13(19(23)29)14(26)6-3-12-4-8-17(33-2)16(28)9-12/h3-9,18,20-22,24,27-32H,10H2,1-2H3/b6-3+/t18-,20-,21+,22-,24+/m1/s1
SMILES (Click to copy)
C1(O)C=CC(C(=O)/C=C/C2C=CC(OC)=C(O)C=2)=C(O)C=1O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C3CGS0014
PubChem CID
14861257

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 446.60
Topological Polar Surface Area 194.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 2.17
Molar Refractivity 124.79

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Updated at
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