Structure Database (LMSD)

Common Name
6-Hydroxyrotenone
Systematic Name
Synonyms
LM ID
LMPK12060030
Formula
C23H22O7
Exact Mass
Calculate m/z
410.136555
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OFLJOIFZMITSOL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H22O7/c1-10(2)15-8-13-14(28-15)6-5-11-20(24)19-12-7-17(26-3)18(27-4)9-16(12)29-23(25)22(19)30-21(11)13/h5-7,9,15,19,22-23,25H,1,8H2,2-4H3
SMILES (Click to copy)
C12OC(C(C)=C)CC=1C1OC3C(O)OC4C(=CC(OC)=C(OC)C=4)C3C(=O)C=1C=C2

Other Databases

METABOLOMICS ID
FLIFHVNF0002
PubChem CID
14427381

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 363.27
Topological Polar Surface Area 89.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.88
Molar Refractivity 108.58

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Updated at
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