(2S)-poncirin

Properties Image MNX_ID MNXM101028 reference chebi:66773 formula C28H34O14 global charge 0 mol weight 594.566 InChIKey NLAWPKPYBMEWIR-SKYQDXIQSA-N InChI InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 SMILES COC1=CC=C([C@@H]2CC(=O)C3=C(C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C3O)O2)C=C1 MNX internals InChI (mnx) InChI=1/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 SMILES (mnx) [CH3:1][C@H:11]1[C@H:21]([OH:32])[C@@H:23]([OH:34])[C@@H:25]([OH:36])[C@H:27]([O:42][C@@H:26]2[C@@H:24]([OH:35])[C@H:22]([OH:33])[C@@H:19]([CH2:10][OH:29])[O:41][C@H:28]2[O:39][C:14]2=[CH:7][C:15]([OH:30])=[C:20]3[C:16](=[O:31])[CH2:9][C@@H:17]([C:12]4=[CH:4][CH:6]=[C:13]([O:37][CH3:2])[CH:5]=[CH:3]4)[O:40][C:18]3=[CH:8]2)[O:38]1

Parent-child relations graph

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