Structure Database (LMSD)

Common Name
Kazinol E
Systematic Name
Synonyms
LM ID
LMPK12020237
Formula
C30H38O4
Exact Mass
Calculate m/z
462.27701
Status
Curated
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)
RPBKTSQYNACKIG-MHZLTWQESA-N
InChi (Click to copy)
InChI=1S/C30H38O4/c1-8-30(6,7)24-15-20-11-14-27(34-28(20)17-25(24)31)23-16-26(32)29(33)22(13-10-19(4)5)21(23)12-9-18(2)3/h8-10,15-17,27,31-33H,1,11-14H2,2-7H3/t27-/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=C(O)C(O)=C(C/C=C(\C)/C)C=3C/C=C(/C)\C)CCC=2C=C1C(C)(C=C)C

Other Databases

CHEBI ID
186800
METABOLOMICS ID
FL6F1CNI0002
PubChem CID
480870

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 480.08
Topological Polar Surface Area 71.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 7.35
Molar Refractivity 139.06

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Updated at
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