Structure Database (LMSD)

O OH OH OH O O O
Common Name
Boeravinone C
Systematic Name
4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone
Synonyms
LM ID
LMPK12060046
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
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)
ZVSXALWTWGTZSP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-8-11(23-2)6-12-14(15(8)20)17(21)18(22)9-4-3-5-10(19)16(9)24-7-13(18)25-12/h3-6,13,19-20,22H,7H2,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC3COC4C(=CC=CC=4O)C3(O)C(=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
FLIFHXNM0001
PubChem CID
13940641

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 291.77
Topological Polar Surface Area 109.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.21
Molar Refractivity 86.64

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Updated at
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