Structure Database (LMSD)

Common Name
Rubraflavone B
Systematic Name
Synonyms
LM ID
LMPK12110053
Formula
C30H34O5
Exact Mass
Calculate m/z
474.240625
Status
Active
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)
HCSUUBNHCMBDJW-KEBDBYFISA-N
InChi (Click to copy)
InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-13-24-28(34)25-15-16-26(32)22(12-9-19(3)4)29(25)35-30(24)23-14-11-21(31)17-27(23)33/h7,9-11,14-17,31-33H,6,8,12-13H2,1-5H3/b20-10+
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3)=C(C/C=C(\C)/CC/C=C(\C)/C)C(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0030629
CHEBI ID
175738
METABOLOMICS ID
FL3F1LNI0002
PubChem CID
44257580

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 472.69
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 8.22
Molar Refractivity 142.28

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Updated at
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