Structure Database (LMSD)

Common Name
Euchrenone a6
Systematic Name
Synonyms
LM ID
LMPK12140520
Formula
C30H34O6
Exact Mass
Calculate m/z
490.23554
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)
HBUKGWAZEVMVBC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O6/c1-16(2)7-9-19-27(33)20(10-8-17(3)4)29-26(28(19)34)23(32)15-25(35-29)21-13-18-11-12-30(5,6)36-24(18)14-22(21)31/h7-8,11-14,25,31,33-34H,9-10,15H2,1-6H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC4OC(C)(C)C=CC=4C=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNP0016
PubChem CID
14769499

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 482.66
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 7.00
Molar Refractivity 140.72

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Updated at
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