Structure Database (LMSD)

Common Name
Dichamanetin
Systematic Name
Synonyms
LM ID
LMPK12140150
Formula
C29H24O6
Exact Mass
Calculate m/z
468.15729
Status
Curated
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)
WBZSDBHJYZORRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H24O6/c30-22-12-6-4-10-18(22)14-20-27(33)21(15-19-11-5-7-13-23(19)31)29-26(28(20)34)24(32)16-25(35-29)17-8-2-1-3-9-17/h1-13,25,30-31,33-34H,14-16H2
SMILES (Click to copy)
C1(CC2C=CC=CC=2O)C(O)=C(CC2C(O)=CC=CC=2)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FA9NC0005
PubChem CID
11719701

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 5
Aromatic Rings 4
Rotatable Bonds 5
Van der Waals Molecular Volume 423.28
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.40
Molar Refractivity 130.36

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Updated at
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