linustatin

Chemical Formula:

C₁₆H₂₇NO₁₁

Molecular Weight:

409.389 Daltons

Monoisotopic Mass:

409.158410715 Daltons

SMILES:

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

InChI:

1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1

InChIKey:

FERSMFQBWVBKQK-CXTTVELOSA-N

Synonyms

propanenitrile
[2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylpropiononitrile)]

Databases

MetaCyc: CPD-14594

RefMet: Linustatin

ChEBI: 6483

KEGG: C08333

PubChem (CID): 119301

Seed: cpd05248

MetaNetX: MNXM60199