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

Properties Image MNX_ID MNXM165030 reference metacycM:CPD-18685 formula C29H44O15 global charge 0 mol weight 632.656 InChIKey CUUUTFCDEUGWHT-UCJRHUJRSA-N InChI InChI=1S/C29H44O15/c1-12-17(30)22(43-28-24(36-5)19(32)21(35-4)14(3)41-28)20(33)27(39-12)44-23-18(31)13(2)40-29(25(23)37-6)42-16-10-8-15(9-11-16)26(34)38-7/h8-14,17-25,27-33H,1-7H3/t12-,13-,14-,17-,18-,19+,20+,21+,22+,23+,24-,25+,27-,28-,29-/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](OC)[C@@H](O)[C@@H]4OC)[C@H]3O)[C@H]2OC)C=C1 MNX internals InChI (mnx) InChI=1/C29H44O15/c1-12-17(30)22(43-28-24(36-5)19(32)21(35-4)14(3)41-28)20(33)27(39-12)44-23-18(31)13(2)40-29(25(23)37-6)42-16-10-8-15(9-11-16)26(34)38-7/h8-14,17-25,27-33H,1-7H3/t12-,13-,14-,17-,18-,19+,20+,21+,22+,23+,24-,25+,27-,28-,29-/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[C@H:17]([OH:30])[C@@H:22]([O:43][C@H:28]2[C@@H:24]([O:36][CH3:5])[C@H:19]([OH:32])[C@H:21]([O:35][CH3:4])[C@H:14]([CH3:3])[O:41]2)[C@@H:20]([OH:33])[C@H:27]([O:44][C@@H:23]2[C@@H:18]([OH:31])[C@H:13]([CH3:2])[O:40][C@@H:29]([O:42][C:16]3=[CH:11][CH:9]=[C:15]([C:26](=[O:34])[O:38][CH3:7])[CH:8]=[CH:10]3)[C@@H:25]2[O:37][CH3:6])[O:39]1

Parent-child relations graph

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