Structure Database (LMSD)

Common Name
Flemichin A
Systematic Name
Synonyms
LM ID
LMPK12140511
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]
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)
KKHKTWUGRNQGDU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-17(2)7-6-10-30(5)12-9-19-26(36-30)16-23(33)27-22(32)15-25(34-28(19)27)20-13-18-8-11-29(3,4)35-24(18)14-21(20)31/h7-9,11-14,16,25,31,33H,6,10,15H2,1-5H3
SMILES (Click to copy)
C12OC(CC/C=C(\C)/C)(C)C=CC=1C1OC(C3C=C4C=CC(C)(C)OC4=CC=3O)CC(=O)C=1C(O)=C2

Other Databases

METABOLOMICS ID
FL2FALNP0007
PubChem CID
42608042

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 470.30
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.47
Molar Refractivity 140.03

Admin

Created at
-
Updated at
-