Structure Database (LMSD)

Common Name
Lonchocarpol B
Systematic Name
Synonyms
LM ID
LMPK12140287
Formula
C25H30O7
Exact Mass
Calculate m/z
442.199155
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)
HSPZURODGUDKAX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H30O7/c1-13(2)5-10-16-22(29)17(11-20(28)25(3,4)31)24-21(23(16)30)18(27)12-19(32-24)14-6-8-15(26)9-7-14/h5-9,19-20,26,28-31H,10-12H2,1-4H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(CC(O)C(O)(C)C)C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
187246
METABOLOMICS ID
FL2FAANI0013
PubChem CID
13846820

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 422.59
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.27
Molar Refractivity 120.36

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Updated at
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