Structure Database (LMSD)

Common Name
Rubraflavone D
Systematic Name
Synonyms
LM ID
LMPK12110920
Formula
C30H32O6
Exact Mass
Calculate m/z
488.21989
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SKCPIJZMAFLOJW-GIJQJNRQSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-17(2)7-6-8-18(3)9-11-22-28(34)26-25(35-29(22)20-12-10-19(31)15-23(20)32)16-24-21(27(26)33)13-14-30(4,5)36-24/h7,9-10,12-16,31-33H,6,8,11H2,1-5H3/b18-9+
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C/C=C(\C)/CC/C=C(\C)/C)=C(C3C(O)=CC(O)=CC=3)OC=1C=2

Other Databases

CHEBI ID
191804
METABOLOMICS ID
FL3FALNP0009
PubChem CID
44258297

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 469.12
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 8.18
Molar Refractivity 143.40

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Updated at
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