Structure Database (LMSD)

Common Name
Boeravinone B
Systematic Name
6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone
Synonyms
LM ID
LMPK12060073
Formula
C17H12O6
Exact Mass
Calculate m/z
312.06339
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)
YVVDYYFGAWQOGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3
SMILES (Click to copy)
C1(O)=CC2OC3C(O)OC4C(=CC=CC=4)C=3C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FLIFWYNM0001
PubChem CID
14018348

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 252.14
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.46
Molar Refractivity 81.68

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Updated at
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