(2S,3R)-3-methyl-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxirane-2-carbonitrile
AlkaPlorer ID: AK264437
Synonym: None
IUPAC Name: (2S,3R)-3-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxirane-2-carbonitrile
Structure
SMILES: C[C@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1C#N
InChI: InChI=1S/C11H17NO7/c1-11(6(2-12)19-11)4-17-10-9(16)8(15)7(14)5(3-13)18-10/h5-10,13-16H,3-4H2,1H3/t5-,6+,7-,8+,9-,10-,11-/m1/s1
InChIKey: WIKISPGCKIJOQU-NJNULVQQSA-N
Reference
Leucine-derived nitrile glucosides in the rosaceae and their systematic significance
PubChem CID: 101675232
LOTUS: LTS0199566
SuperNatural Ⅲ: SN0411114-01
NPASS: NPC252147
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Endoconidiophora coerulescens | Endoconidiophora | Ceratocystidaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 275.25700000000006
TPSA？: 135.70000000000002
MolLogP？: -2.5160199999999984
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|