Structure Database (LMSD)

Common Name
Munchiwarin
Systematic Name
Synonyms
LM ID
LMPK12120412
Formula
C30H36O4
Exact Mass
Calculate m/z
460.26136
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)
HBTGYTAWTFVIRO-QKOOUZAASA-N
InChi (Click to copy)
InChI=1S/C30H36O4/c1-20(2)7-11-24-19-26(27(32)14-10-23-8-12-25(31)13-9-23)29(34)30(28(24)33,17-15-21(3)4)18-16-22(5)6/h7-10,12-16,19,31-32H,11,17-18H2,1-6H3/b14-10+,27-26-
SMILES (Click to copy)
C1C=C(/C=C/C(=C2/C(=O)C(C/C=C(/C)\C)(C/C=C(\C)/C)C(=O)C(C/C=C(\C)/C)=C/2)/O)C=CC=1O

Other Databases

CHEBI ID
186336
METABOLOMICS ID
FL1CQUNI0001
PubChem CID
6536697

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 2
Aromatic Rings 1
Rotatable Bonds 8
Van der Waals Molecular Volume 498.06
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.35
Molar Refractivity 139.47

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Updated at
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