TCMBANKIN000712 |
betonicine |
|
C7H14NO3+ |
160.19 g/mol |
C[N+]1(CC(CC1C(=O)O)O)C |
TCMBANKIN004722 |
marrubiin |
ZINC3881917 |
C20H28O4 |
332.4 g/mol |
CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C |
TCMBANKIN004793 |
premarrubiin |
|
C20H28O4 |
332.4 g/mol |
CC1CC2C3C(CCCC3(C14CCC5(O4)COC=C5)C)(C(=O)O2)C |
TCMBANKIN005785 |
caffeoyl malicacid |
|
C13H12O8 |
296.23 g/mol |
C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C(=O)O)O)O |
TCMBANKIN037523 |
Premarrubenol |
|
|
336.5 g/mol |
|
TCMBANKIN038082 |
arenarioside |
arenarioside |
C34H44O19 |
756.7 g/mol |
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(CO4)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O |
TCMBANKIN038722 |
forsythoside B |
forsythoside b; CHEMBL393292; BDBM50377907 |
C34H44O19 |
757 |
[C@@]1([H])(C([H])([H])O[C@]([H])(OC([H])([H])[C@@]2(C([H])([H])O[H])O[H])[C@]2([H])O[H])O[C@@]([H])(OC([H])([H])C([H])([H])c3c([H])c(O[H])c(O[H])c([H])c3[H])[C@]([H])(O[H])[C@@]([H])(O[C@]([H])(O[C@@
]4([H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]1([H])OC(=O)\C([H])=C([H])\c(c([H])c(O[H])c(O[H])c5[H])c5[H] |
TCMBANKIN043526 |
Marsdekoside C |
|
C46H76O18 |
|
[C@@]1([H])(C([H])([H])[H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@]3([H])[C@@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]4([H])C([H])([H])[C@]5([H])[C@](C([H])([H])[H])([C@@]([H]
)(C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@](C([H])([H])[H])([C@@]([C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[H])(O[H])C([H])([H])C6([H])[H])[C@]67O[H])[C@@]7(O[H])C([H])([H])C5([H])[H])C([H])([
H])C4([H])[H])C([H])([H])[C@]3([H])OC([H])([H])[H])C([H])([H])[C@@]2([H])OC([H])([H])[H])[C@]([H])(O[H])[C@]([H])(OC([H])([H])[H])[C@]1([H])O[H] |
TCMBANKIN043857 |
Marrubenol |
|
|
336.5 g/mol |
|
TCMBANKIN044105 |
prenyl caffeate |
|
C14H16O4 |
248.27 g/mol |
CC(=CCOC(=O)C=CC1=CC(=C(C=C1)O)O)C |
TCMBANKIN049168 |
ballotetroside |
|
C39H52O23 |
888.8 g/mol |
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)OC6C(C(C(CO6)O)O)O)O)O |