Structure Database (LMSD)

HO OH OH O O O OH
Common Name
Exiguaflavanone H
Systematic Name
Synonyms
LM ID
LMPK12140521
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
SFDUGGMUNSJGJB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-15(2)7-8-17(16(3)4)11-20-28-19(9-10-30(5,6)37-28)27(35)26-23(34)14-24(36-29(20)26)25-21(32)12-18(31)13-22(25)33/h7,9-10,12-13,17,24,31-33,35H,3,8,11,14H2,1-2,4-6H3
SMILES (Click to copy)
C12C=CC(C)(C)OC1=C(CC(C/C=C(\C)/C)C(C)=C)C1OC(C3C(O)=CC(O)=CC=3O)CC(=O)C=1C=2O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNP0017
PubChem CID
42608047

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 491.45
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.78
Molar Refractivity 142.17

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Updated at
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