Structure Database (LMSD)

Common Name
Poinsettifolin B
Systematic Name
Synonyms
LM ID
LMPK12120109
Formula
C30H34O5
Exact Mass
Calculate m/z
474.240625
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MPFPWDKHTLSMIF-UKTHLTGXSA-N
InChi (Click to copy)
InChI=1S/C30H34O5/c1-19(2)7-6-17-30(5)18-16-22-21(10-14-27(33)29(22)35-30)9-13-25(31)24-12-15-26(32)23(28(24)34)11-8-20(3)4/h7-10,12-16,18,32-34H,6,11,17H2,1-5H3/b13-9+
SMILES (Click to copy)
C1C=C(O)C(C/C=C(\C)/C)=C(O)C=1C(=O)/C=C/C1C=CC(O)=C2OC(C)(CC/C=C(/C)\C)C=CC=12

Other Databases

METABOLOMICS ID
FL1C1CNP0002
PubChem CID
11798732

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 483.59
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 7.41
Molar Refractivity 141.62

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Updated at
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