Structure Database (LMSD)

Common Name
(-)-Sanggenone K
Systematic Name
Synonyms
  • Sanggenone K
LM ID
LMPK12110930
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)
JDZJUEFVZGTGIJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-17(2)7-6-13-30(5)14-12-20-23(32)11-10-22(29(20)36-30)28-21(9-8-18(3)4)27(34)26-24(33)15-19(31)16-25(26)35-28/h7-8,10-12,14-16,31-33H,6,9,13H2,1-5H3
SMILES (Click to copy)
C12C(=O)C(C/C=C(\C)/C)=C(C3C=CC(O)=C4C=CC(C)(CC/C=C(\C)/C)OC=34)OC=1C=C(O)C=C2O

Other Databases

METABOLOMICS ID
FL3FALNP0019
PubChem CID
44258299

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 469.12
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 8.18
Molar Refractivity 143.40

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Updated at
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