Structure Database (LMSD)

Common Name
12a-Hydroxymunduserone
Systematic Name
Synonyms
LM ID
LMPK12060051
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
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)
APAWOEBSLLGWDF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-10-4-5-11-13(6-10)26-17-9-25-14-8-16(24-3)15(23-2)7-12(14)19(17,21)18(11)20/h4-8,17,21H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC3COC4=C(C=C(OC)C(OC)=C4)C3(O)C(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0035070
CHEBI ID
175596
METABOLOMICS ID
FLIFHXNS0001
PubChem CID
14427372

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 309.07
Topological Polar Surface Area 87.59
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 2.51
Molar Refractivity 91.68

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Updated at
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