Structure Database (LMSD)

O OH O O HO O HO HO HO HO O O
Common Name
Peruvianoside I
Systematic Name
Pervianoside I
Synonyms
  • (2R)-5,7,4'-Trihydroxy-3',5'-methoxyflavanone 5-glucoside
LM ID
LMPK12140456
Formula
C23H26O12
Exact Mass
Calculate m/z
494.14243
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
JUTUYETVYPXSNI-XFUZCVDFSA-N
InChi (Click to copy)
InChI=1S/C23H26O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-6,12,17,20-25,27-30H,7-8H2,1-2H3/t12-,17-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
C1(O)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2C(=O)C[C@H](C3C=C(OC)C(O)=C(OC)C=3)OC=2C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAIGS0001
PubChem CID
10368466

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 422.22
Topological Polar Surface Area 188.74
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 1.72
Molar Refractivity 119.08

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Created at
-
Updated at
26th Oct 2021