Structure Database (LMSD)

O O OH OH O O O O
Common Name
11-Hydroxytephrosin
Systematic Name
Synonyms
LM ID
LMPK12060049
Formula
C23H22O8
Exact Mass
Calculate m/z
426.13147
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

String Representations

InChiKey (Click to copy)
OFLCPNIRDVOOEZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H22O8/c1-22(2)6-5-11-14(31-22)8-13(24)19-20(11)30-18-10-29-15-9-17(28-4)16(27-3)7-12(15)23(18,26)21(19)25/h5-9,18,24,26H,10H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3(O)C(=O)C=1C(O)=C2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIFHXNP0003
PubChem CID
13846202

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 372.06
Topological Polar Surface Area 109.89
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.68
Molar Refractivity 111.05

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Updated at
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