Lippioside II

Properties Image MNX_ID MNXM127372 reference chebi:186422 formula C25H30O14 global charge 0 mol weight 554.501 InChIKey YHZBVXGYEGLXCQ-HWKANZROSA-N InChI InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+ SMILES CC1(O)C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)/C=C/C4=CC(O)=C(O)C=C4)C(O)C(O)C3O)C21 MNX internals InChI (mnx) InChI=1/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+/t11?,15?,16?,18?,19?,20?,21?,23?,24?,25? SMILES (mnx) [CH3:1][C:25]1([OH:35])[CH:16]([OH:28])[CH2:7][CH:11]2[C:12]([C:22](=[O:33])[OH:34])=[CH:8][O:37][CH:23]([O:39][CH:24]3[CH:21]([OH:32])[CH:20]([OH:31])[CH:19]([OH:30])[CH:15]([CH2:9][O:36][C:17](/[CH:5]=[CH:3]/[C:10]4=[CH:6][C:14]([OH:27])=[C:13]([OH:26])[CH:4]=[CH:2]4)=[O:29])[O:38]3)[CH:18]21

Parent-child relations graph

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