Structure Database (LMSD)

Common Name
Exiguaflavanone J
Systematic Name
Synonyms
LM ID
LMPK12140486
Formula
C30H36O7
Exact Mass
Calculate m/z
508.246105
Status
Curated
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)
FKVFNTSBPLZWEG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H36O7/c1-15(2)7-9-18(17(5)6)11-21-28(35)20(10-8-16(3)4)29(36)27-24(34)14-25(37-30(21)27)26-22(32)12-19(31)13-23(26)33/h7-8,12-13,18,25,31-33,35-36H,5,9-11,14H2,1-4,6H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(CC(C(C)=C)C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3O)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNI0025
PubChem CID
42608031

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 503.81
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 6.52
Molar Refractivity 142.72

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Updated at
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