MSI_000056406

Reliable

排名分数: 5.06
参考来源: DESI (NOVOCELL:BACKGROUND: blank)

M/z: 656.4263
Mass Window: 656.426 ~ 656.427 (4.1 ppm)

参考注释

13-Demethylspirolide C_[M+H-2H2O]+ (BioDeep_00000022572)
5-[(10E)-9,32-dihydroxy-10,13,19,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1¹,⁴.1⁴,⁷.0¹²,¹⁷.0¹⁷,²³]pentatriaconta-10,13,22-trien-14-yl]-3-methyl-2,5-dihydrofuran-2-one

Formula: C42H61NO7 (691.4447796)
SMILES:

C1C(=C([C@H]2[C@]3(C1)C(=NC[C@H]([C@@H](C3)C)C)CCCC(=C)C[C@@H]1CC[C@@]([C@@]3(CC[C@]4(CC[C@H](C[C@H](/C(=C\2)/C)O)O4)O3)O1)(O)C)C)[C@H]1OC(=O)C(=C1)C

13-Demethylspirolide C is found in crustaceans. 13-Demethylspirolide C is isolated from contaminated shellfish.