25pyoverdine I

Smiles:CC(O)C1(NC(C(NC(=O)C(CCCN(C=O)O)NC(=O)C(CCCCNC(=O)1)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(NC(C(CO)NC(C4(CCN=C3(C(NC(CCC(C([O-])=O)[N+])=O)=CC2(=CC(O)=C(O)C=C2N34))))=O)=O)CCCNC(=[N+])N)C(C)O)=O)

天然来源:

活性:

类型: Siderophore

分子式:C56H87N18O22

分子量:1364.411

26ferribactin

Smiles:CC(O)C1(NC(C(NC(=O)C(CCCN(C=O)O)NC(=O)C(CCCCNC(=O)1)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(NC(C(CO)NC(C3(CCN=C(C(NC(CCC(C(=O)[O-])[N+])=O)CC2(=CC=C(O)C=C2))N3))=O)=O)CCCNC(=[N+])N)C(C)O)=O)

天然来源:

活性:

类型: Siderophore

分子式:C56H91N18O21

分子量:1352.443

27vancomycin

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(C=CC(=C(C=4)Cl)OC6(C=C5C=C(C=6OC7(C(C(C(C(CO)O7)O)O)OC8(CC(C)(C(C(C)O8)O)[N+])))OC9(=C(Cl)C=C(C=C9)C%10O))))O)=O))=O))=O)=O))=O)[N+]C

天然来源:

活性:

类型: Antibiotic/Xenobiotic

分子式:C66H76N9O24CL2

分子量:1450.278

28teicoplanin

Smiles:CC(C)CCCCCCC(NC%13(C(OC1(C9(=CC=CC=1OC2(C=CC(=CC=2Cl)C(C4(C(NC(C(=O)[O-])C%10(C=C(C=C(C(C3(=C(C(=CC(=C3)C(C(N4)=O)NC(CNC(C7(C5(C=C(C=C(C=5)OC6(=C(C=CC(=C6)C(C(NC(C(N7)=O)C(C8(C=CC(=CC=8Cl)O9))O)=O)[N+])O))O)))=O)=O)O)O))=%10)OC%11(C(C(C(C(CO)O%11)O)O)O))O))=O))OC%12(C(C(C(C(CO)O%12)O)O)NC(C)=O)))))OC(CO)C(C%13O)O))=O

天然来源:

活性:

类型: Antibiotic/Xenobiotic

分子式:C88H99N9O35CL2

分子量:1913.695

29ceftriaxone

Smiles:CN1(C(=NC(C([N-]1)=O)=O)SCC2(CSC3(C(C(N(C(C(=O)[O-])=2)3)=O)NC(C(C4(=CSC(N)=N4))=NOC)=O)))

天然来源:

活性:

类型: Antibiotic/Xenobiotic

分子式:C18H16N8O7S3

分子量:552.554

30nisin

Smiles:CCC(C)C(C(NC(=CC)C(NC1(C(NC(C(NC(=C)C(NC(CC(C)C)C(NC(CSC1)C(NC7(C(C)SCC(C(NC(C(NC6(C(NCC(NC(C)C(NC(C(NC(CCSC)C(NCC(NC(C(NC(C(NC(C(NC(C(NC5(C(NC(C)C(NC4(C(NC(C(NC(CC2(=C[N+]=CN2))C(NC(C(NC(CO)C(NC(C(NC(C(NC(C(NC(=C)C(NC(C(=O)[O-])CCCC[N+])=O)=O)C(C)C)=O)CC3(=CN=CN3))=O)C(C)CC)=O)=O)CSC(C)4)=O)=O)CSC(C)5)=O))=O)=O))=O)CCCC[N+])=O)CCSC)=O)CC(N)=O)=O)CSC(C)6)=O)=O)=O)CC(C)C)=O)=O)=O))=O)CCCC[N+])=O)NC(CNC(C8(CCCN(C7=O)8))=O)=O))=O)=O)=O)=O)C(C)CC)=O))=O)=O)[N+]

天然来源:

活性:

类型: Antibiotic/Xenobiotic

分子式:C143H234N42O37S7

分子量:3358.101

31rhizobactin

Smiles:CC(C(=O)[O-])[N+]CC[N+]C(C([O-])=O)CCCCNC(CC(O)C([O-])=O)=O

天然来源:

活性:

类型: Siderophore

分子式:C15H26N3O8

分子量:376.386

32enterocin

Smiles:COC1(=CC(=O)OC(=C1)C5(C4(C(C2(CC(C(C(=O)O2)([C-](C(C3(C=CC=CC=3))=O)4)O)5O))O)O))

天然来源:

活性:

类型: Antibiotic/Xenobiotic

分子式:C22H19O10

分子量:443.386

333-[(8Z,11E,13Z)-pentadeca-8,11,13-trien-1-yl] )catechol

Smiles:CC=CC=CCC=CCCCCCCCC1(C(O)=C(O)C=CC=1)

天然来源[8]:Camellia sinensis[更多]

活性:

类型: Urushiol

分子式:C21H30O2

分子量:314.467

34dimeric urushiol

Smiles:CCC=CC=CC=CCCCCCCCC1(=C(O)C(O)=CC=C1C(C)C=CC=CC=CCCCCCCCC2(=C(O)C(O)=CC=C2))

天然来源:

活性:

类型: Urushiol

分子式:C42H58O4

分子量:626.918

35streptothricin F acid

Smiles:C([N+])CCC([N+])CC(=O)NC2(C([N+]=C1(NC(C(C(=O)[O-])N1)C(O)C[N+]))OC(CO)C(OC(=O)N)C(O)2)

天然来源:

活性:

类型: Antibiotic/Xenobiotic

分子式:C19H39N8O9

分子量:523.565

36streptothricin D

Smiles:C([N+])CCC([N+])CC(=O)NCCCC([N+])CC(=O)NCCCC([N+])CC(=O)NC3(C([N+]=C2(NC1(C(C(=O)NCC(O)1)N2)))OC(CO)C(OC(=O)N)C(O)3)

天然来源:

活性:

类型: Antibiotic/Xenobiotic

分子式:C31H63N12O10

分子量:763.913