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fumigaclavine C

PropertiesImageOccurences in reactions
MNX_IDMNXM1100639Image of MNXM1100639
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
formulaC23H31N2O2
charge1
mass367.238
referencechebi:67147
InChIKeyOSICWVVWEXKSBD-LFAYTRTRSA-O
InChIInChI=1S/C23H30N2O2/c1-7-23(4,5)22-16-11-18-20(15-9-8-10-17(24-22)19(15)16)21(27-14(3)26)13(2)12-25(18)6/h7-10,13,18,20-21,24H,1,11-12H2,2-6H3/p+1/t13-,18+,20+,21-/m0/s1
SMILESC=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@@H](C)C[NH+]1C
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:67147
chebi:67147
fumigaclavine C
(8beta,9beta)-6,8-dimethyl-2-(2-methylbut-3-en-2-yl)ergolin-6-ium-9-yl acetate
fumigaclavine C(1+)
seed.compound:cpd33426
seedM:cpd33426
(2R,3S,4S,7R)-3-(acetyloxy)-4,6-dimethyl-10-(2-methylbut-3-en-2-yl)-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-6-ium
metacyc.compound:CPD-14469
metacycM:CPD-14469
fumigaclavine C
(2R,3S,4S,7R)-3-(acetyloxy)-4,6-dimethyl-10-(2-methylbut-3-en-2-yl)-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-6-ium
CHEBI:64673
chebi:64673
fumigaclavine C
(8beta,9beta)-6,8-dimethyl-2-(2-methylbut-3-en-2-yl)ergolin-9-yl acetate
seedM:M_cpd33426 secondary/obsolete/fantasy identifier