MSI_000017267
Reliable
排名分数: 3.87
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 527.0175
Mass Window: 527.0174 ~ 527.0175 (0.1 ppm)
参考注释
(17r)-8,10,20-trichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one_[M+H-2H2O]+ (BioDeep_00002237633)(17r)-8,10,20-trichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one
Formula: C27H21Cl3O7 (562.0352806000001)
SMILES:
Cc1cc(O)c(Cl)c2c1C1O[C@@](C)(Cc3cc4c(c(O)c31)C(=O)c1c(O)c(Cl)c(O)c(Cl)c1C4(C)C)O2
