Structure Database (LMSD)

Common Name
(+)-12a-Hydroxyerythynone
Systematic Name
Synonyms
LM ID
LMPK12060050
Formula
C24H24O8
Exact Mass
Calculate m/z
440.14712
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VSSFKDAMVNYAEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H24O8/c1-23(2)7-6-12-20-13(8-18(29-5)21(12)32-23)22(25)24(26)14-9-16(27-3)17(28-4)10-15(14)30-11-19(24)31-20/h6-10,19,26H,11H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC3COC4C(=CC(OC)=C(OC)C=4)C3(O)C(=O)C=1C=C2OC

Other Databases

CHEBI ID
166648
METABOLOMICS ID
FLIFHXNP0004
PubChem CID
14704461

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 389.36
Topological Polar Surface Area 98.89
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 3.98
Molar Refractivity 115.93

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Created at
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Updated at
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