iprocinodine (CHEBI:756549)

CHEBI:756549 - iprocinodine

Formula	C40H65N13O13.C40H65N13O13
Net Charge	0
Average Mass	1872.076
Monoisotopic Mass	1870.96496
SMILES	CC(C)NCCCCNCCCNC(=O)/C=C/c1ccc(O[C@H]2O[C@H](C)[C@@H](NC(=O)N[C@H]3OC[C@@H](O[C@@H]4OC[C@H]5OC(=O)N[C@@H]5[C@H]4NC(N)=O)[C@H](O)[C@H]3NC(N)=O)[C@H](O)[C@H]2NC(=N)N)cc1.[H][C@@]12[C@@H](O[C@@H]3CO[C@H](NC(=O)N[C@H]4[C@H](O)[C@@H](NC(=N)N)[C@@H](Oc5ccc(/C=C/C(=O)NCCCNCCCCNC(C)C)cc5)O[C@@H]4C)[C@H](NC(N)=O)[C@H]3O)OC[C@H](O)[C@@]1([H])NC(=O)N2C(N)=O
InChI	InChI=1S/2C40H65N13O13/c1-19(2)46-15-5-4-13-45-14-6-16-47-25(55)12-9-21-7-10-22(11-8-21)65-34-29(48-36(41)42)32(57)26(20(3)64-34)50-39(60)52-33-28(49-37(43)58)31(56)24(18-62-33)66-35-30-27(23(54)17-63-35)51-40(61)53(30)38(44)59;1-19(2)46-15-5-4-13-45-14-6-16-47-25(54)12-9-21-7-10-22(11-8-21)64-35-30(48-36(41)42)32(56)26(20(3)63-35)51-39(59)53-33-29(50-38(44)58)31(55)24(18-61-33)65-34-28(49-37(43)57)27-23(17-62-34)66-40(60)52-27/h7-12,19-20,23-24,26-35,45-46,54,56-57H,4-6,13-18H2,1-3H3,(H2,44,59)(H,47,55)(H,51,61)(H4,41,42,48)(H3,43,49,58)(H2,50,52,60);7-12,19-20,23-24,26-35,45-46,55-56H,4-6,13-18H2,1-3H3,(H,47,54)(H,52,60)(H4,41,42,48)(H3,43,49,57)(H3,44,50,58)(H2,51,53,59)/b2*12-9+/t20-,23+,24-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-;20-,23-,24-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-/m11/s1
InChIKey	CJDGJDNOHJZPLO-MZAWRPQESA-N

ChEBI Ontology

Outgoing Relation(s)
	iprocinodine (CHEBI:756549) has functional parent cinnamic acid (CHEBI:27386)
	iprocinodine (CHEBI:756549) is a olefinic compound (CHEBI:78840)