Structure Database (LMSD)

Common Name
Angoluvarin
Systematic Name
Synonyms
LM ID
LMPK12120471
Formula
C30H28O6
Exact Mass
Calculate m/z
484.18859
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)
ANKYEGIHRFWHIP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H28O6/c1-36-28-18-27(34)23(30(35)29(28)26(33)14-11-19-7-3-2-4-8-19)17-22-16-20(12-13-25(22)32)15-21-9-5-6-10-24(21)31/h2-10,12-13,16,18,31-32,34-35H,11,14-15,17H2,1H3
SMILES (Click to copy)
C1(O)C=C(OC)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1CC1C(O)=CC=C(CC2C=CC=CC=2O)C=1

Other Databases

METABOLOMICS ID
FL1DA9NC0005
PubChem CID
639275

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 4
Rotatable Bonds 9
Van der Waals Molecular Volume 452.94
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.51
Molar Refractivity 137.24

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Updated at
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