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rhodiocyanoside A

AlkaPlorer ID: AK045340

Synonym: 'Rhodiocyanoside A', '', 'Multifidin', '(2Z)-2-methyl-4-{(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy}but-2-enenitrile'

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

Structure

SMILES: C/C(C#N)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C11H17NO6/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-11,13-16H,3,5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1

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InChIKey: ZMELGIPFIBWPHX-GMLQCYRESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pieris napi Pieris Pieridae Lepidoptera Insecta Arthropoda Metazoa Eukaryota
Sextonia rubra Sextonia Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lejeunea pallescens Lejeunea Lejeuneaceae Porellales Jungermanniopsida Streptophyta Viridiplantae Eukaryota
Lotus japonicus Lotus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Senna siamea Senna Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Triaenophora rupestris Triaenophora Orobanchaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bartramia pomiformis Bartramia Bartramiaceae Bartramiales Bryopsida Streptophyta Viridiplantae Eukaryota
Streptomyces paulus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Cerinthe minor Cerinthe Boraginaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea japonica Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ehretia dicksonii Ehretia Ehretiaceae Boraginales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhodiola quadrifida Rhodiola Crassulaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cedrus libani Cedrus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Ixeris stolonifera Ixeris Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhodiola sacra Rhodiola Crassulaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Khaya senegalensis Khaya Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Balanophora involucrata Balanophora Balanophoraceae Santalales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhodiola crenulata Rhodiola Crassulaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Craspidospermum verticillatum Craspidospermum Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypericum ascyron Hypericum Hypericaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aristolochia zollingeriana Aristolochia Aristolochiaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Khaya ivorensis Khaya Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Larix cajanderi Larix Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Penicillium paxilli Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Rohdea japonica Rohdea Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 259.258

TPSA？: 123.17000000000002

MolLogP？: -1.7272200000000006

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001407 C/C(C#N)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>C/C(C#N)=C/CO enzymemap_60927
AKRT001408 C/C(C#N)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_60927