Structure Database (LMSD)

Common Name
(-)-Sparticarpin
Systematic Name
Synonyms
LM ID
LMPK12070062
Formula
Exact Mass
Calculate m/z
300.099775
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QXSOYBBYHNOUSH-SJCJKPOMSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-19-15-6-11-13(7-16(15)20-2)21-8-12-10-4-3-9(18)5-14(10)22-17(11)12/h3-7,12,17-18H,8H2,1-2H3/t12-,17-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]3([H])C=2C=C1OC

Other Databases

KEGG ID
CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 259.53
Topological Polar Surface Area 61.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.30
Molar Refractivity 79.75

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Created at
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Updated at
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