rhabduscin

Chemical Formula:

C₁₇H₂₀N₂O₅

Molecular Weight:

332.355 Daltons

Monoisotopic Mass:

333.145046795 Daltons

SMILES:

CC2(OC(OC1(C=CC(C=C[N+]#[C-])=CC=1))C(O)C(O)C(NC(C)=O)2)

InChI:

1S/C17H20N2O5/c1-10-14(19-11(2)20)15(21)16(22)17(23-10)24-13-6-4-12(5-7-13)8-9-18-3/h4-10,14-17,21-22H,1-2H3,(H,19,20)/b9-8+/t10-,14+,15+,16-,17+/m0/s1

InChIKey:

WQBVZBBQNNMLLX-YFFNFLMJSA-N

Synonyms

N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-{4-[(E)-2-isocyanoethenyl]phenoxy}-2-methyloxan-3-yl]acetamide

Databases

MetaCyc: CPD-20771

ChEBI: 140651

PubChem (CID): 102453304