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name Structure Reference Source Properties Activities Metabolism

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-aminobenzoate

AlkaPlorer ID: AK032043

Synonym: None

IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-aminobenzoate

Structure

SMILES: NC1=CC=C(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1

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InChI: InChI=1S/C13H17NO7/c14-7-3-1-6(2-4-7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2/t8-,9-,10+,11-,13+/m1/s1

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InChIKey: DZWLQKNUQNGEPR-HMUNZLOLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Eucalyptus perriniana Eucalyptus Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 299.279

TPSA？: 142.47000000000003

MolLogP？: -1.7744999999999993

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT020613 Nc1ccc(C(=O)O)cc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>Nc1ccc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 RXN-6142