MSI_000055512
Reliable
排名分数: 12.43
参考来源: Homo sapiens (UBERON:0001043: esophagus)
M/z: 833.4475
Mass Window: 833.4472 ~ 833.4478 (2.3 ppm)
参考注释
Conophylline_[M+K]+ (BioDeep_00000177645)16,27-dimethyl 14,25-diethyl-24,33-dihydroxy-31,32-dimethoxy-12,22-dioxa-1,9,18,29-tetraazadodecacyclo[23.13.1.1⁶,⁹.0²,²³.0³,²¹.0⁵,¹⁹.0⁶,¹⁷.0¹¹,¹³.0²⁸,³⁶.0³⁰,³⁵.0³⁶,³⁹.0¹⁴,⁴⁰]tetraconta-3,5(19),16,20,27,30,32,34-octaene-16,27-dicarboxylate
Formula: C44H50N4O10 (794.352676)
SMILES:
CCC12CC(C(=O)OC)=C3NC4=C(C=C5C6C(OC5=C4)C(O)C4(CC)CC(C(=O)OC)=C5NC7=C(OC)C(OC)=C(O)C=C7C55CCN6C45)C33CCN(CC4OC14)C23