Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
Synonyms
LM ID
LMPK12140250
Formula
C27H32O15
Exact Mass
Calculate m/z
596.174125
Status
Curated
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)
HMOGGANVPFSRNU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H32O15/c28-8-17-20(33)21(34)23(36)27(40-17)42-25-18(9-29)41-26(24(37)22(25)35)38-12-5-13(31)19-14(32)7-15(39-16(19)6-12)10-1-3-11(30)4-2-10/h1-6,15,17-18,20-31,33-37H,7-9H2
SMILES (Click to copy)
C1(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FAAGS0016
PubChem CID
42607914

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 5
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 505.43
Topological Polar Surface Area 251.50
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
logP 1.24
Molar Refractivity 141.66

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Updated at
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