Structure Database (LMSD)

O HO OH HO HO O OH OH O O
Common Name
Poriolin
Systematic Name
Synonyms
LM ID
LMPK12140231
Formula
C22H24O10
Exact Mass
Calculate m/z
448.13695
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)
OTEDOZYVCYGPKP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O10/c1-9-13(31-22-21(29)20(28)19(27)16(8-23)32-22)7-15-17(18(9)26)12(25)6-14(30-15)10-2-4-11(24)5-3-10/h2-5,7,14,16,19-24,26-29H,6,8H2,1H3
SMILES (Click to copy)
C1(OC2OC(CO)C(O)C(O)C2O)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAAGM0001
PubChem CID
42607897

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 387.34
Topological Polar Surface Area 170.28
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 2.01
Molar Refractivity 110.71

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Updated at
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