Structure Database (LMSD)

Common Name
Artocommunol CD
Systematic Name
Synonyms
LM ID
LMPK12110903
Formula
C30H34O6
Exact Mass
Calculate m/z
490.23554
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JIYLDFRPPGXCML-VXLYETTFSA-N
InChi (Click to copy)
InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-13-23-28(35)27-26(34)16-25(33)22(12-9-18(3)4)30(27)36-29(23)21-14-11-20(31)15-24(21)32/h7,9-11,14-16,31-34H,6,8,12-13H2,1-5H3/b19-10+
SMILES (Click to copy)
C12C(=O)C(C/C=C(\C)/CC/C=C(\C)/C)=C(C3C=CC(O)=CC=3O)OC=1C(C/C=C(\C)/C)=C(O)C=C2O

Other Databases

METABOLOMICS ID
FL3FALNI0014
PubChem CID
10983804

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 481.48
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 7.93
Molar Refractivity 143.95

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Updated at
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