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fumigaclavine B

PropertiesImageOccurences in reactions
MNX_IDMNXM1100557Image of MNXM1100557
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
formulaC16H21N2O
charge1
mass257.16484
referencechebi:67146
InChIKeyJUXRVSRUBIFVKE-CIGJXOAISA-O
InChIInChI=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
SMILESC[C@H]1C[NH+](C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2[C@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:67146
chebi:67146
fumigaclavine B
(8beta,9beta)-9-hydroxy-6,8-dimethylergolin-6-ium
fumigaclavine B(1+)
seed.compound:cpd32823
seedM:cpd32823
(2R,3S,4S,7R)-3-hydroxy-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-6-ium
metacyc.compound:CPD-14467
metacycM:CPD-14467
fumigaclavine B
(2R,3S,4S,7R)-3-hydroxy-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-6-ium
CHEBI:67156
chebi:67156
fumigaclavine B
(8beta,9beta)-6,8-dimethylergolin-9-ol
seedM:M_cpd32823 secondary/obsolete/fantasy identifier