precorrin-8x
Chemical Formula:
C45H53N4O14
Molecular Weight:
873.932 Daltons
Monoisotopic Mass:
880.4106026562 Daltons
SMILES:
CC3(C5(C(C([CH](C4(N=C(C(C)=C1(C(C(CCC(=O)[O-])C(=N1)CC2(C(=C(CCC(=O)[O-])C(=N2)3)C)C)(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)4)C)N=5)CC(=O)[O-])(C)CCC(=O)[O-]))
InChI:
1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-7/b39-22-/t21?,25-,26-,27+,40-,41-,42+,43+,44+,45+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-686
PubChem (CID):
45266691
ChEBI:
58581
KEGG:
C06408
Seed:
cpd03835
MetaNetX:
MNXM1589