Structure Database (LMSD)

O O O O O HO
Common Name
(+)-Tephrorin B
Systematic Name
Synonyms
LM ID
LMPK12140009
Formula
C30H28O6
Exact Mass
Calculate m/z
484.18859
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)
QBEVDWJGVNNOGT-NTWNTOQNSA-N
InChi (Click to copy)
InChI=1S/C30H28O6/c1-30(2)29(36-26(33)16-13-19-9-5-3-6-10-19)22(18-34-30)27-23(31)15-14-21-24(32)17-25(35-28(21)27)20-11-7-4-8-12-20/h3-16,22,25,29,31H,17-18H2,1-2H3/b16-13+/t22-,25+,29+/m1/s1
SMILES (Click to copy)
C1(O)C=CC2C(=O)C[C@@H](C3C=CC=CC=3)OC=2C=1[C@@H]1[C@H](OC(/C=C/C2C=CC=CC=2)=O)C(C)(C)OC1

References

Taxonomy Information

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

Other Databases

CHEBI ID
66200
METABOLOMICS ID
FL2F19NC0003
PubChem CID
10624721

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 454.12
Topological Polar Surface Area 86.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 6.47
Molar Refractivity 136.51

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Updated at
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