Structure Database (LMSD)

Common Name
Exiguaflavanone I
Systematic Name
Synonyms
LM ID
LMPK12140522
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
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)
MFNPNDPIJKMUMP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-15(2)7-8-17(16(3)4)11-20-27(35)26-23(34)14-24(25-21(32)12-18(31)13-22(25)33)36-29(26)19-9-10-30(5,6)37-28(19)20/h7,9-10,12-13,17,24,31-33,35H,3,8,11,14H2,1-2,4-6H3
SMILES (Click to copy)
C1(CC(C(C)=C)C/C=C(\C)/C)C2OC(C)(C)C=CC=2C2OC(C3C(O)=CC(O)=CC=3O)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNP0018
PubChem CID
42608048

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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