Structure Database (LMSD)

Common Name
Artelasticin
Systematic Name
Synonyms
LM ID
LMPK12110905
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)
UEEBMAIKXXZTAU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O6/c1-16(2)7-11-21-26(33)22(12-8-17(3)4)30-25(27(21)34)28(35)23(13-9-18(5)6)29(36-30)20-14-10-19(31)15-24(20)32/h7-10,14-15,31-34H,11-13H2,1-6H3
SMILES (Click to copy)
C12C(=O)C(C/C=C(\C)/C)=C(C3C=CC(O)=CC=3O)OC=1C(C/C=C(\C)/C)=C(O)C(C/C=C(\C)/C)=C2O

Other Databases

METABOLOMICS ID
FL3FALNI0016
PubChem CID
5471311

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 481.48
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 7.71
Molar Refractivity 144.09

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Updated at
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