precorrin-7
Chemical Formula:
C44H52N4O14
Molecular Weight:
860.913 Daltons
Monoisotopic Mass:
867.4027776240999 Daltons
SMILES:
CC3(C1(C(CCC([O-])=O)=C(C)C(C)(N=1)CC2([N+]=C(C(C)(CC([O-])=O)C=2CCC([O-])=O)C=C5(C(C(C([CH]4(C(C(CCC([O-])=O)(C)C3=N4)CC([O-])=O))(C)N5)(C)CC([O-])=O)CCC(=O)[O-]))))
InChI:
1S/C44H58N4O14/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56/h17,21,25-26,39,47H,8-16,18-20H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-6/b27-17-/t21?,25-,26+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14845
PubChem (CID):
70698350
ChEBI:
71490
MetaNetX:
MNXM97116