Structure Database (LMSD)

Common Name
Euchrenone a4
Systematic Name
Synonyms
LM ID
LMPK12140311
Formula
C30H34O5
Exact Mass
Calculate m/z
474.240625
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)
RPCILRXZRGPPAQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O5/c1-17(2)7-10-21-27(32)22(11-8-18(3)4)29-26(28(21)33)23(31)16-25(34-29)19-9-12-24-20(15-19)13-14-30(5,6)35-24/h7-9,12-15,25,32-33H,10-11,16H2,1-6H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C2OC(C3C=C4C=CC(C)(C)OC4=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FAANP0006
PubChem CID
14284690

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 473.87
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 7.29
Molar Refractivity 139.05

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Updated at
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