Structure Database (LMSD)

Common Name
Dorsmanin C
Systematic Name
Synonyms
LM ID
LMPK12112299
Formula
C30H32O7
Exact Mass
Calculate m/z
504.214805
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HHAZEOQNUWGOLG-RQZCQDPDSA-N
InChi (Click to copy)
InChI=1S/C30H32O7/c1-16(2)7-6-8-17(3)9-11-19-24(33)23-25(34)26(35)27(18-10-12-21(31)22(32)15-18)36-29(23)20-13-14-30(4,5)37-28(19)20/h7,9-10,12-15,31-33,35H,6,8,11H2,1-5H3/b17-9+
SMILES (Click to copy)
C12=C(O)C(C/C=C(/CC/C=C(\C)/C)\C)=C3OC(C)(C)C=CC3=C1OC(C1C=CC(O)=C(O)C=1)=C(O)C2=O

Other Databases

CHEBI ID
179725
METABOLOMICS ID
FL5FACNP0007
PubChem CID
5472481

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 488.81
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 7.01
Molar Refractivity 142.76

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Updated at
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