Structure Database (LMSD)

Common Name
Longicaudatin
Systematic Name
Synonyms
LM ID
LMPK12120479
Formula
C26H22O7
Exact Mass
Calculate m/z
446.136555
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
DDPIFFIZEVATBM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H22O7/c1-31-22-14-21(29)24(20(28)10-8-15-6-4-3-5-7-15)25-18(22)13-23(33-25)17-12-16(26(30)32-2)9-11-19(17)27/h3-7,9,11-14,27,29H,8,10H2,1-2H3
SMILES (Click to copy)
C1(O)C(C(=O)CCC2C=CC=CC=2)=C2OC(C3C=C(C(=O)OC)C=CC=3O)=CC2=C(OC)C=1

Other Databases

CHEBI ID
197231
METABOLOMICS ID
FL1DA9NC0013
PubChem CID
10026569

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 4
Rotatable Bonds 8
Van der Waals Molecular Volume 395.17
Topological Polar Surface Area 106.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 5.12
Molar Refractivity 121.96

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Updated at
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