MSI_000015405
Reliable
排名分数: 5
参考来源: Vitis vinifera (PO:0009085: exocarp)
M/z: 631.0454
Mass Window: 631.0451 ~ 631.0458 (2.9 ppm)
参考注释
(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione_[M+H]+ (BioDeep_00002126156)(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione
Formula: C27H22N2O10S3 (630.0436552)
SMILES:
COc1ccc2cc1Oc1cc(ccc1O)[C@H](O)[C@]13SSS[C@@]4(C(=O)N1C)[C@H](O)C1=COC=C[C@H](OC2=O)[C@H]1N4C3=O
