Structure Database (LMSD)

Systematic Name
(-)-4,11,12a-Trihydroxy-9-methoxyrotenone
Synonyms
LM ID
LMPK12060056
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
Status
Active
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)
ZXZFBFOIMQWFPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-8-5-11(19)14-12(6-8)24-13-7-23-15-9(3-2-4-10(15)18)17(13,21)16(14)20/h2-6,13,18-19,21H,7H2,1H3
SMILES (Click to copy)
C1(OC)=CC2OC3COC4C(=CC=CC=4O)C3(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIFHXNS0006
PubChem CID
21676233

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 274.47
Topological Polar Surface Area 109.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 1.90
Molar Refractivity 81.91

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Updated at
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