chanoclavine-I aldehyde

Chemical Formula:

C₁₆H₁₉N₂O

Molecular Weight:

255.339 Daltons

Monoisotopic Mass:

255.14973824240002 Daltons

SMILES:

CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)

InChI:

1S/C16H18N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8-9,13,15,17-18H,7H2,1-2H3/p+1/b10-6+/t13-,15-/m1/s1

InChIKey:

XFKPUSAZRRAPSC-HEESEWQSSA-O

Synonyms

(6R,7R)-N-methyl-7-[(1E)-2-methyl-3-oxoprop-1-en-1-yl]-2-azatricyclo[6.3.1.0^4,12]dodeca-1(11),3,8(12),9-tetraen-6-aminium

Databases

MetaCyc: CPD-14459

PubChem (CID): 70698348

ChEBI: 71487

MetaNetX: MNXM46250

KEGG: C20379