Structure Database (LMSD)

Common Name
Dorsilurin C
Systematic Name
Synonyms
LM ID
LMPK12111651
Formula
C30H32O6
Exact Mass
Calculate m/z
488.21989
Status
Active
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)
GKELGBDDLUFHJZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-16(2)7-11-20-24(31)21(12-8-17(3)4)29-23(25(20)32)26(33)27(34)28(35-29)19-10-9-18-13-14-30(5,6)36-22(18)15-19/h7-10,13-15,31-32,34H,11-12H2,1-6H3
SMILES (Click to copy)
C12=C(O)C(C/C=C(/C)\C)=C(O)C(C/C=C(\C)/C)=C1OC(C1C=CC3C=CC(C)(C)OC=3C=1)=C(O)C2=O

Other Databases

METABOLOMICS ID
FL5FA9NP0003
PubChem CID
15478904

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 469.12
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 7.96
Molar Refractivity 143.55

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Updated at
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