Structure Database (LMSD)

Common Name
(+)-8-Hydroxy-5,5-dimethylpeltogynan
Systematic Name
Synonyms
LM ID
LMPK12020152
Formula
C18H18O6
Exact Mass
Calculate m/z
330.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QEJAXMORBPLKCL-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-18(2)11-7-14(22)13(21)5-9(11)17-16(24-18)6-10-12(20)3-8(19)4-15(10)23-17/h3-5,7,16-17,19-22H,6H2,1-2H3/t16-,17+/m0/s1
SMILES (Click to copy)
C12C=C(O)C=C(O)C=1C[C@@H]1OC(C)(C)C3C=C(O)C(O)=CC=3[C@H]1O2

Other Databases

CHEBI ID
186177
METABOLOMICS ID
FL63PTNM0001
PubChem CID
11645621

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 285.62
Topological Polar Surface Area 103.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.11
Molar Refractivity 85.03

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Updated at
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