chloroeremomycin
Chemical Formula:
C73H90N10O26CL2
Molecular Weight:
1594.471 Daltons
Monoisotopic Mass:
1593.5483035677 Daltons
SMILES:
CC(C)CC(C(NC%10(C(NC(CC(N)=O)C(NC5(C(NC3(C(NC(C(NC(C(=O)[O-])C1(=CC(=CC(=C1C2(C(=CC=C(C=2)3)O))O)O))=O)C(C4(=CC(Cl)=C(C=C4)OC6(C=C5C=C(C=6OC7(C(C(C(C(CO)O7)O)O)OC8(OC(C)C(O)C([N+])(C)C8)))OC9(=C(Cl)C=C(C=C9)C%10O))))OC%11(OC(C)C(O)C([N+])(C)C%11))=O))=O))=O)=O))=O)[N+]C
InChI:
1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/p+2/t27-,28-,38+,39-,46+,48-,49-,51+,52?,53?,54?,55?,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14693
PubChem (CID):
90658236
ChemSpider:
391744
Seed:
cpd08808
MetaNetX:
MNXM103776
KEGG:
C12014