Structure Database (LMSD)

Common Name
Didymocarpin A
Systematic Name
Synonyms
LM ID
LMPK12140677
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KZDDYSMOBDHKFT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-16-13(19)12-10(18)8-11(9-6-4-3-5-7-9)23-15(12)14(20)17(16)22-2/h3-7,11,19-20H,8H2,1-2H3
SMILES (Click to copy)
C1(OC)=C(O)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL2FG9NS0001
PubChem CID
21679830

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.82
Molar Refractivity 81.63

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