Structure Database (LMSD)

HO HO OH O O O OH
Common Name
Exiguaflavanone D
Systematic Name
Synonyms
LM ID
LMPK12140483
Formula
C31H38O7
Exact Mass
Calculate m/z
522.261755
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
GVIHRMQHJHVHCT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H38O7/c1-16(2)8-10-19(18(5)6)12-22-29(35)21(11-9-17(3)4)30(36)28-25(34)15-26(38-31(22)28)27-23(32)13-20(37-7)14-24(27)33/h8-9,13-14,19,26,32-33,35-36H,5,10-12,15H2,1-4,6-7H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(CC(C/C=C(\C)/C)C(C)=C)C2OC(C3C(O)=CC(OC)=CC=3O)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

CHEBI ID
184777
METABOLOMICS ID
FL2FALNI0022
PubChem CID
10392009

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 3
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 521.11
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.82
Molar Refractivity 147.60

Admin

Created at
-
Updated at
-