demethylmacrocin
Chemical Formula:
C44H74NO17
Molecular Weight:
889.065 Daltons
Monoisotopic Mass:
888.4956749563 Daltons
SMILES:
CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC3(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(O)3))COC4(OC(C(O)C(O)C(O)4)C))
InChI:
1S/C44H73NO17/c1-11-31-28(20-56-42-38(53)37(52)35(50)24(5)58-42)16-21(2)12-13-29(47)22(3)17-27(14-15-46)39(23(4)30(48)18-32(49)60-31)62-43-36(51)34(45(9)10)40(25(6)59-43)61-33-19-44(8,55)41(54)26(7)57-33/h12-13,15-16,22-28,30-31,33-43,48,50-55H,11,14,17-20H2,1-10H3/p+1/b13-12+,21-16+/t22-,23+,24-,25-,26+,27+,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-/m1/s1
InChIKey:
Databases
MetaCyc:
DEMETHYLMACROCIN
ChEBI:
76819
PubChem (CID):
72715764
MetaboLights:
MTBLC15906
KEGG:
C02400
Seed:
cpd01597
MetaNetX:
MNXM3580