Structure Database (LMSD)

Common Name
Euchrenone a14
Systematic Name
Synonyms
LM ID
LMPK12140312
Formula
C30H32O5
Exact Mass
Calculate m/z
472.224975
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)
HTCARADXGJIOML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O5/c1-17(2)7-9-21-27-20(12-14-30(5,6)35-27)26(32)25-22(31)16-24(33-28(21)25)18-8-10-23-19(15-18)11-13-29(3,4)34-23/h7-8,10-15,24,32H,9,16H2,1-6H3
SMILES (Click to copy)
C12C=CC(C)(C)OC1=C(C/C=C(\C)/C)C1OC(C3C=C4C=CC(C)(C)OC4=CC=3)CC(=O)C=1C=2O

Other Databases

CHEBI ID
187094
METABOLOMICS ID
FL2FAANP0007
PubChem CID
42607937

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 461.51
Topological Polar Surface Area 71.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 7.55
Molar Refractivity 138.51

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Updated at
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