desulfo-A47934
Chemical Formula:
C58H44N7O18CL3
Molecular Weight:
1233.381 Daltons
Monoisotopic Mass:
1232.1886658087 Daltons
SMILES:
C1(C=C9(C(Cl)=CC=1C[CH]%10(NC(C([N+])C%11(=CC=C(O)C(OC2(C=C(C=C(C=2)[CH](C(NC7(C3(=CC(=C(C(=C3)OC4(C(Cl)=CC(=CC=4)C([CH]6(C(NC(C(=O)[O-])C8(C=C(C=C(C(C5(=C(C(=CC(=C5)[CH](C(N6)=O)NC7=O)Cl)O))=8)O)O))=O))O))O)O9)))=O)NC%10=O)O))=C%11))=O)))
InChI:
1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)/t34-,43+,44+,45-,46-,47?,48+,49-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15751
PubChem (CID):
90657774
MetaboLights:
MTBLC77036
ChEBI:
77036
MetaNetX:
MNXM146376
KEGG:
C20759