CAS 639-81-6 MFCD00639816-Ergotaminine -LabNovo

SMILES:

Chemical Name	Ergotaminine
Chemical Name Translation
InChIKey	XCGSFFUVFURLIX-BRMNWJGKSA-N
PubChem Substance ID	115248
InChI	InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25+,26-,27-,32+,33-/m0/s1

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