Structure Database (LMSD)

Common Name
Exiguaflavanone E
Systematic Name
Synonyms
LM ID
LMPK12140484
Formula
C27H32O7
Exact Mass
Calculate m/z
468.214805
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)
BDVHKISNFFHJEW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H32O7/c1-14(2)7-8-16(15(3)4)9-18-23(32-5)12-21(30)26-22(31)13-24(34-27(18)26)17-10-25(33-6)20(29)11-19(17)28/h7,10-12,16,24,28-30H,3,8-9,13H2,1-2,4-6H3
SMILES (Click to copy)
C1C(OC)=C(CC(C/C=C(\C)/C)C(C)=C)C2OC(C3C(O)=CC(O)=C(OC)C=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
140141
METABOLOMICS ID
FL2FALNI0023
PubChem CID
42608029

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 454.55
Topological Polar Surface Area 107.52
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.62
Molar Refractivity 129.35

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Updated at
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