fumigaclavine B(1+) (Q27135647)

CHEBI:67146 (English)

7 October 2016

chemical formula

C₁₆H₂₁N₂O⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1C[NH+](C2CC3=CNC4=CC=CC(=C34)C2C1O)C

1 reference

CHEBI:67146 (English)

7 October 2016

isomeric SMILES

C[C@H]1C[NH+]([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@H]1O)C

1 reference

CHEBI:67146 (English)

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

7 October 2016

Identifiers

InChI

1 reference

CHEBI:67146 (English)

JUXRVSRUBIFVKE-CIGJXOAISA-O

7 October 2016

InChIKey

2 references

CHEBI:67146 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8beta,9beta)-9-Hydroxy-6,8-dimethylergolin-6-ium (English)

7 October 2016

2 references

CHEBI:67146 (English)

matched by identifier from

7 October 2016

InChIKey

JUXRVSRUBIFVKE-CIGJXOAISA-O

ChEBI ID

67146

mapping relation type

2 references

fumigaclavine B(1+) (English)