Structure Database (LMSD)

Common Name
(-)-Mucronulatol
Systematic Name
Synonyms
LM ID
LMPK12080024
Formula
C17H18O5
Exact Mass
Calculate m/z
302.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavans [PK1208]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
NUNFZNIXYWTZMW-LLVKDONJSA-N
InChi (Click to copy)
InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC[C@]([H])(C3=CC=C(OC)C(O)=C3OC)CC=2C=C1

Other Databases

KEGG ID
C10507
CHEBI ID
7014
METABOLOMICS ID
FLIC1LNS0001
PubChem CID
442811

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 271.89
Topological Polar Surface Area 70.22
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.12
Molar Refractivity 81.75

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Updated at
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