mithramycin
Chemical Formula:
C52H76O24
Molecular Weight:
1085.158 Daltons
Monoisotopic Mass:
1084.47265337 Daltons
SMILES:
CC8(C(OC2(OC(C)C(O)C(OC1(OC(C)C(O)C(O)C1))C2))=CC7(C(=C(O)C6(C(=O)C(OC5(OC(C)C(O)C(OC4(OC(C)C(O)C(OC3(OC(C)C(O)C(O)(C)C3))C4))C5))[CH](C(OC)C(=O)C(O)C(O)C)CC=6C=7))C(O)=8))
InChI:
1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1
InChIKey:
Synonyms
- plicamycin
- mithracin
Databases
MetaCyc:
CPD-13955
PubChem (CID):
163659
MetaboLights:
MTBLC31856
HMDB:
HMDB15682
DRUGBANK:
DB06810
KEGG:
C12389
Wikipedia:
Mithramycin
ChEBI:
31856
MetaNetX:
MNXM12269