Structure Database (LMSD)

O OH O O O
Common Name
Euchrenone a15
Systematic Name
Synonyms
LM ID
LMPK12140313
Formula
C30H32O5
Exact Mass
Calculate m/z
472.224975
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)
JAYQQVYKSWOWSK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O5/c1-17(2)7-9-20-26(32)25-22(31)16-24(33-28(25)21-12-14-30(5,6)35-27(20)21)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)
C1(C/C=C(\C)/C)C2OC(C)(C)C=CC=2C2OC(C3C=C4C=CC(C)(C)OC4=CC=3)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

CHEBI ID
184759
METABOLOMICS ID
FL2FAANP0008
PubChem CID
42607938

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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Created at
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Updated at
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