Structure Database (LMSD)

Common Name
12a-Hydroxydolineone
Systematic Name
(6aR -6aα,13aα-Dihydro-13aα-hydroxy-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one
Synonyms
LM ID
LMPK12060033
Formula
C19H12O7
Exact Mass
Calculate m/z
352.058305
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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/
Pachyrhizus erosus (#109171)
Magnoliopsida (#3398)
Chemical study of indian yam beans (Pachyrrhizus erosus) : Isolation of two new rotenoids: 12a-hydroxydolineone and 12a-hydroxypachyrrhizone,
Tetrahedron, 1970

String Representations

InChiKey (Click to copy)
HLEAVDSSZUIWQI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H12O7/c20-18-10-3-9-1-2-22-12(9)5-13(10)26-17-7-23-14-6-16-15(24-8-25-16)4-11(14)19(17,18)21/h1-6,17,21H,7-8H2
SMILES (Click to copy)
C12OC=CC1=CC1C(=O)C3(O)C4=C(OCC3OC=1C=2)C=C1OCOC1=C4

Other Databases

HMDB ID
HMDB0030756
CHEBI ID
174717
METABOLOMICS ID
FLIFHXNF0001
PubChem CID
13885696

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 6
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 281.71
Topological Polar Surface Area 93.80
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 2.57
Molar Refractivity 87.81

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Created at
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Updated at
18th Aug 2025