neolinustatin

Chemical Formula:

C₁₇H₂₉NO₁₁

Molecular Weight:

423.416 Daltons

Monoisotopic Mass:

423.1740607792 Daltons

SMILES:

CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C

InChI:

1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1

InChIKey:

WOSYVGNDRYBQCQ-BARGLTKPSA-N

Synonyms

butanenitrile
[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]

Databases

MetaCyc: CPD-14596

ChEBI: 7506

HMDB: HMDB38482

KEGG: C08336

PubChem (CID): 119533

Seed: cpd05251

MetaNetX: MNXM64385