actinomyc-D monolactone
Chemical Formula:
C62H87N12O17
Molecular Weight:
1272.439 Daltons
Monoisotopic Mass:
1272.6390394629002 Daltons
SMILES:
CC(C(NC(C(NC(C2(C1(=NC3(C(=CC=C(C(OC1=C(C(C=2N)=O)C)=3)C)C(=O)NC5(C(OC(C(C(C)C)N(C)C(=O)CN(C)C(=O)[CH]4(CCCN4C(C(C(C)C)NC(=O)5)=O))=O)C)))))=O)C(O)C)=O)C(N6(C(C(=O)N(C)CC(N(C(C([O-])=O)C(C)C)C)=O)CCC6))=O)C
InChI:
1S/C62H88N12O17/c1-27(2)42(59(85)73-23-17-19-36(73)57(83)69(13)25-38(76)71(15)48(29(5)6)61(87)88)65-55(81)44(33(11)75)67-54(80)40-41(63)50(78)32(10)52-47(40)64-46-35(22-21-31(9)51(46)91-52)53(79)68-45-34(12)90-62(89)49(30(7)8)72(16)39(77)26-70(14)58(84)37-20-18-24-74(37)60(86)43(28(3)4)66-56(45)82/h21-22,27-30,33-34,36-37,42-45,48-49,75H,17-20,23-26,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,80)(H,68,79)(H,87,88)/p-1/t33?,34-,36+,37+,42-,43-,44-,45+,48+,49+/m1/s1
InChIKey:
Databases
MetaCyc:
ACTINOMYCINIC-MONOLACTONE
PubChem (CID):
102514943
KEGG:
C03597
Seed:
cpd12349
MetaNetX:
MNXM8246