Structure Database (LMSD)

Common Name
Cycloaltilisin
Systematic Name
Synonyms
LM ID
LMPK12110935
Formula
C26H26O7
Exact Mass
Calculate m/z
450.167855
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
RVJOJRVPGYKMQS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-20(31-5)17(28)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC3C4C=C(O)C(OC)=CC=4OC(/C=C(\C)/C)C=3C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0040835
CHEBI ID
176143
METABOLOMICS ID
FL3FALNR0005
PubChem CID
44258301

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 411.35
Topological Polar Surface Area 111.43
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 6.39
Molar Refractivity 125.51

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Updated at
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