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dihydro-alpha-ergocryptine

PropertiesImageOccurences in reactions
MNX_IDMNXM104548Image of MNXM104548
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC32H43N5O5
charge0
mass577.32642
referencechebi:59919
InChIKeyPBUNVLRHZGSROC-VTIMJTGVSA-N
InChIInChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:59919
chebi:59919 		dihydro-alpha-ergocryptine
(10alphaH)-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)-9,10alpha-dihydroergotaman-3',6',18-trione
9,10-dihydro-alpha-ergocryptine
alpha-dihydroergocryptine
kegg.drug:D07835
keggD:D07835 		Dihydroergocryptine
keggD:M_D07835 secondary/obsolete/fantasy identifier