Structure Database (LMSD)

Systematic Name
Flavaprenin 7,4'-diglucoside
Synonyms
LM ID
LMPK12140228
Formula
C32H40O15
Exact Mass
Calculate m/z
664.236725
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SWHOWAZBASIDAD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H40O15/c1-13(2)3-8-16-20(45-32-29(42)27(40)25(38)22(12-34)47-32)10-18(36)23-17(35)9-19(44-30(16)23)14-4-6-15(7-5-14)43-31-28(41)26(39)24(37)21(11-33)46-31/h3-7,10,19,21-22,24-29,31-34,36-42H,8-9,11-12H2,1-2H3
SMILES (Click to copy)
C1(OC2OC(CO)C(O)C(O)C2O)=C(C/C=C(/C)\C)C2OC(C3C=CC(OC4OC(CO)C(O)C(O)C4O)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
187530
METABOLOMICS ID
FL2FAAGI0001
PubChem CID
42607894

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 5
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 589.29
Topological Polar Surface Area 251.50
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
logP 2.40
Molar Refractivity 164.89

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Updated at
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