Structure Database (LMSD)

Common Name
Lumaflavanone C
Systematic Name
Synonyms
LM ID
LMPK12140158
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
RPBFBOLBXRVOGC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-14(2)19-21-24(37-30(35)22(19)26(33)28(4,5)27(34)29(30,6)7)15(3)23(32)20-17(31)13-18(36-25(20)21)16-11-9-8-10-12-16/h8-12,14,18-19,22,32,35H,13H2,1-7H3
SMILES (Click to copy)
C1(C)(C)C(=O)C2C(C(C)C)C3C4OC(C5C=CC=CC=5)CC(=O)C=4C(O)=C(C)C=3OC2(O)C(C)(C)C1=O

Other Databases

CHEBI ID
140121
METABOLOMICS ID
FL2FA9NC0013
PubChem CID
11145602

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 481.73
Topological Polar Surface Area 114.27
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 5.33
Molar Refractivity 136.34

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Updated at
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