Structure Database (LMSD)

Common Name
Petalostemumol G
Systematic Name
Synonyms
LM ID
LMPK12112291
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
Status
Curated
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)
JJYTVPNJUZEOPO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-15(2)7-10-18-13-23(33)26(34)20(12-9-17(5)6)24(18)30-28(36)27(35)25-22(32)14-21(31)19(29(25)37-30)11-8-16(3)4/h7-9,13-14,31-34,36H,10-12H2,1-6H3
SMILES (Click to copy)
C12=C(O)C=C(O)C(C/C=C(\C)/C)=C1OC(C1=C(C/C=C(/C)\C)C=C(O)C(O)=C1C/C=C(/C)\C)=C(O)C2=O

Other Databases

METABOLOMICS ID
FL5FACNI0007
PubChem CID
5480298

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 490.27
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 7.41
Molar Refractivity 145.76

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Updated at
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