fumigaclavine B

Chemical Formula:

C₁₆H₂₁N₂O

Molecular Weight:

257.355 Daltons

Monoisotopic Mass:

257.1653883066 Daltons

SMILES:

CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(O)1)2)C=CC=C3NC=4))))

InChI:

1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/p+1/t9-,13+,15+,16-/m0/s1

InChIKey:

JUXRVSRUBIFVKE-CIGJXOAISA-O

Synonyms

(2R,3S,4S,7R)-3-hydroxy-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(16),9,12,14-tetraen-6-ium

Databases

MetaCyc: CPD-14467

PubChem (CID): 70678820

ChEBI: 67146

Seed: cpd23356

MetaNetX: MNXM97128

KEGG: C20437