Structure Database (LMSD)

Common Name
(-)-Acanthocarpan
Systematic Name
Synonyms
LM ID
LMPK12070127
Formula
C17H12O7
Exact Mass
Calculate m/z
328.058305
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OOCFJEXFOZXGCV-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H12O7/c18-17-5-19-14-8(1-2-10-15(14)23-7-20-10)16(17)24-11-4-13-12(3-9(11)17)21-6-22-13/h1-4,16,18H,5-7H2/t16-,17+/m0/s1
SMILES (Click to copy)
C12OCOC=1C1OC[C@@]3(O)C4C=C5OCOC5=CC=4O[C@@]3([H])C=1C=C2

Other Databases

KEGG ID
C10198
CHEBI ID
73
METABOLOMICS ID
FLIDHXNS0002
PubChem CID
442666

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 6
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 252.39
Topological Polar Surface Area 88.03
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 2.14
Molar Refractivity 78.38

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Updated at
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