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name Structure Reference Source Properties Activities Metabolism

(2S)-2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methylbutanenitrile

AlkaPlorer ID: AK112878

Synonym: None

IUPAC Name: (2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylbutanenitrile

Structure

SMILES: CC[C@@](C)(C#N)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C16H27NO10/c1-3-15(2,5-17)27-13-11(21)10(20)9(19)8(26-13)4-24-14-12(22)16(23,6-18)7-25-14/h8-14,18-23H,3-4,6-7H2,1-2H3/t8-,9-,10+,11-,12+,13+,14-,15+,16-/m1/s1

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InChIKey: MTXHSRQBZHUBTP-OUIBXEOXSA-N

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Reference

PubChem CID: 162929856

SuperNatural Ⅲ: SN0235236-01

NPASS: NPC187508

Source

Species Genus Family Order Class Phylum Kingdom Domain
Felicia amelloides Felicia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tricholoma batschii Tricholoma Tricholomataceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Roccellaria mollis Roccellaria Roccellaceae Arthoniales Arthoniomycetes Ascomycota Fungi Eukaryota
Echinocystis lobata Echinocystis Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Berberis crataegina Berberis Berberidaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Senna sophera Senna Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Acacia cambagei Acacia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pteris inaequalis Pteris Pteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Senecio polyodon Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Arnica viscosa Arnica Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aster alpinus Aster Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phlomoides medicinalis Phlomoides Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Manihot esculenta Manihot Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Xanthoparmelia pokornyi Xanthoparmelia Parmeliaceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Schisandra arisanensis Schisandra Schisandraceae Austrobaileyales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Coptis trifolia Coptis Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Calceolaria thyrsiflora Calceolaria Calceolariaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polytolypa hystricis Polytolypa None Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota
Helenium quadridentatum Helenium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 393.389

TPSA？: 182.09

MolLogP？: -3.0399199999999973

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information