Structure Database (LMSD)

Common Name
(+)-Acutifolin A
Systematic Name
Synonyms
LM ID
LMPK12020281
Formula
C20H22O4
Exact Mass
Calculate m/z
326.15181
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)
LDQGHYBYTNQNFR-VDGAXYAQSA-N
InChi (Click to copy)
InChI=1S/C20H22O4/c1-13(2)7-12-20-16(14-3-5-15(21)6-4-14)8-10-19(24,18(20)23)11-9-17(20)22/h3-7,9,11,16,21,24H,8,10,12H2,1-2H3/t16-,19-,20-/m0/s1
SMILES (Click to copy)
C1([C@H]2[C@@]3(C(=O)[C@@](O)(C=CC3=O)CC2)C/C=C(\C)/C)C=CC(O)=CC=1

Other Databases

CHEBI ID
178217
METABOLOMICS ID
FL6FUNNI0001
PubChem CID
11067365

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 323.26
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.34
Molar Refractivity 91.18

Admin

Created at
-
Updated at
-