Structure Database (LMSD)

Common Name
Flemingin D
Systematic Name
Synonyms
LM ID
LMPK12120137
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ITXSNJVBFNJNNX-DHZHZOJOSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-16(2)5-4-13-25(3)14-12-19-23(29)20(15-22(28)24(19)30-25)21(27)11-8-17-6-9-18(26)10-7-17/h5-12,14-15,26,28-29H,4,13H2,1-3H3/b11-8+
SMILES (Click to copy)
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(CC/C=C(\C)/C)OC2=C(O)C=1

Other Databases

METABOLOMICS ID
FL1C2ANP0001
PubChem CID
24776964

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 399.73
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.90
Molar Refractivity 118.49

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Updated at
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