Structure Database (LMSD)

Common Name
Helilupolone
Systematic Name
Synonyms
LM ID
LMPK12120593
Formula
C30H38O4
Exact Mass
Calculate m/z
462.27701
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LFFGARMIFWEHDF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)(C/C=C(/C)\C)C(=O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1C/C=C(/C)\C

Other Databases

CHEBI ID
186455
METABOLOMICS ID
FL1DQUNI0003
PubChem CID
42607731

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 2
Aromatic Rings 1
Rotatable Bonds 10
Van der Waals Molecular Volume 500.70
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.45
Molar Refractivity 138.66

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Updated at
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