Structure Database (LMSD)

Common Name
Glyinflanin A
Systematic Name
Synonyms
LM ID
LMPK12120378
Formula
C25H28O5
Exact Mass
Calculate m/z
408.193675
Status
Curated
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)
FFPFIAFZJXSGDK-XKZIYDEJSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-15(2)5-7-17-11-18(9-10-21(17)26)22(27)13-24(29)20-12-19(8-6-16(3)4)23(28)14-25(20)30/h5-6,9-14,26-28,30H,7-8H2,1-4H3/b22-13-
SMILES (Click to copy)
C1(O)=CC(O)=C(C(=O)/C=C(\O)/C2C=CC(O)=C(C/C=C(\C)/C)C=2)C=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL1CHYNI0004
PubChem CID
42607642

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 412.09
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.60
Molar Refractivity 119.08

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Updated at
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