15,173-seco-F430-173-acid
Chemical Formula:
C42H47N6O14NI
Molecular Weight:
918.565 Daltons
Monoisotopic Mass:
923.2973233419 Daltons
SMILES:
CC4(C(C3(CC89(C(C(CCC(=O)[O-])C6(=[N+]([Ni--]25([N+]1(=C(C(C(C1CC(=[N+]23)4)CC(=O)[O-])CCC(=O)[O-])C=C7(N5C(=C6)C(C(CCC(=O)[O-])7)CC([O-])=O))))8))(CC(=O)N9)C)))CCC([O-])=O)(CC(=O)N)
InChI:
1S/C42H54N6O14.Ni/c1-40(17-32(43)49)23(5-9-36(55)56)30-16-42-41(2,18-33(50)48-42)24(6-10-37(57)58)29(47-42)14-27-21(11-38(59)60)19(3-7-34(51)52)25(44-27)13-26-20(4-8-35(53)54)22(12-39(61)62)28(45-26)15-31(40)46-30;/h13-14,19-24,28,30H,3-12,15-18H2,1-2H3,(H10,43,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-7/t19-,20?,21-,22-,23+,24+,28?,30-,40-,41-,42-;/m0./s1
InChIKey:
Databases
MetaCyc:
CPD-7592
PubChem (CID):
91819898
Seed:
cpd24798
MetaNetX:
MNXM7345