Structure Database (LMSD)

Common Name
Exiguaflavanone B
Systematic Name
Synonyms
LM ID
LMPK12140112
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
COKUCRXLRIRZQM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)9-10-16(15(3)4)11-17-22(31-5)12-20(29)25-21(30)13-23(32-26(17)25)24-18(27)7-6-8-19(24)28/h6-9,12,16,23,27-29H,3,10-11,13H2,1-2,4-5H3
SMILES (Click to copy)
C1C(OC)=C(CC(C(C)=C)C/C=C(\C)/C)C2OC(C3C(O)=CC=CC=3O)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FA8NI0003
PubChem CID
10455800

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.61
Molar Refractivity 122.80

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Updated at
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