O-methyl-4-O-[2-O-methyl-alpha-L-fucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->3)-2-O-methyl-alpha-L-rhamnopyranosyl]-hydroxybenzoate

Properties Image MNX_ID MNXM165031 reference metacycM:CPD-18686 formula C28H42O15 global charge 0 mol weight 618.629 InChIKey LPVDUZISXSXHBM-DMGADHFWSA-N InChI InChI=1S/C28H42O15/c1-11-16(29)19(32)23(35-4)27(39-11)42-21-17(30)12(2)38-26(20(21)33)43-22-18(31)13(3)40-28(24(22)36-5)41-15-9-7-14(8-10-15)25(34)37-6/h7-13,16-24,26-33H,1-6H3/t11-,12-,13-,16+,17-,18-,19+,20+,21+,22+,23-,24+,26-,27-,28-/m0/s1 SMILES COC(=O)C1=CC=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4OC)[C@H]3O)[C@H]2OC)C=C1 MNX internals InChI (mnx) InChI=1/C28H42O15/c1-11-16(29)19(32)23(35-4)27(39-11)42-21-17(30)12(2)38-26(20(21)33)43-22-18(31)13(3)40-28(24(22)36-5)41-15-9-7-14(8-10-15)25(34)37-6/h7-13,16-24,26-33H,1-6H3/t11-,12-,13-,16+,17-,18-,19+,20+,21+,22+,23-,24+,26-,27-,28-/m0/s1 SMILES (mnx) [CH3:1][C@H:11]1[C@@H:16]([OH:29])[C@@H:19]([OH:32])[C@H:23]([O:35][CH3:4])[C@H:27]([O:42][C@@H:21]2[C@@H:17]([OH:30])[C@H:12]([CH3:2])[O:38][C@@H:26]([O:43][C@@H:22]3[C@@H:18]([OH:31])[C@H:13]([CH3:3])[O:40][C@@H:28]([O:41][C:15]4=[CH:10][CH:8]=[C:14]([C:25](=[O:34])[O:37][CH3:6])[CH:7]=[CH:9]4)[C@@H:24]3[O:36][CH3:5])[C@@H:20]2[OH:33])[O:39]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0