Structure Database (LMSD)

OH O OH OH HO O
Common Name
Symplocosidin
Systematic Name
Synonyms
LM ID
LMPK12020111
Formula
Exact Mass
Calculate m/z
304.09469
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
NJHJXXLBWQXMRO-CZUORRHYSA-N
InChi (Click to copy)
InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=C(OC)C(O)=CC=3)[C@H](O)CC2=C(O)C=1

References

Taxonomy Information

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

Other Databases

HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 263.38
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.14
Molar Refractivity 78.02

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Created at
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Updated at
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