Structure Database (LMSD)

O O HO O O O O
Common Name
(+)-Tephrorin A
Systematic Name
Synonyms
LM ID
LMPK12140008
Formula
C24H26O7
Exact Mass
Calculate m/z
426.167855
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
GSLOHPSPTJDYHS-JLWWHIBLSA-N
InChi (Click to copy)
InChI=1S/C24H26O7/c1-13(25)29-22-20(23(27)31-24(22,2)3)19-17(28-4)11-10-15-16(26)12-18(30-21(15)19)14-8-6-5-7-9-14/h5-11,18,20,22-23,27H,12H2,1-4H3/t18-,20?,22-,23-/m0/s1
SMILES (Click to copy)
C1(OC)C=CC2C(=O)C[C@@H](C3C=CC=CC=3)OC=2C=1C1[C@@H](O)OC(C)(C)[C@H]1OC(=O)C

References

Taxonomy Information

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

Other Databases

CHEBI ID
166614
METABOLOMICS ID
FL2F19NC0002
PubChem CID
42607798

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 392.93
Topological Polar Surface Area 95.43
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.40
Molar Refractivity 112.75

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Created at
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Updated at
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