Orientin 2'',6''-diacetate

Properties Image MNX_ID MNXM65795 reference lipidmapsM:LMPK12110479 formula C25H24O13 global charge 0 mol weight 532.454 InChIKey IOPSQVHEVILLRN-LNWLOANASA-N InChI InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3/t18-,21-,22+,24+,25-/m1/s1 SMILES CC(=O)OC[C@H]1O[C@@H](C2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=CC3=O)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3/t18-,21-,22+,24+,25-/m1/s1 SMILES (mnx) [CH3:1][C:9](=[O:26])[O:35][CH2:8][C@@H:18]1[C@@H:21]([OH:33])[C@H:22]([OH:34])[C@@H:25]([O:36][C:10]([CH3:2])=[O:27])[C@H:24]([C:20]2=[C:15]([OH:31])[CH:6]=[C:14]([OH:30])[C:19]3=[C:23]2[O:37][C:17]([C:11]2=[CH:5][C:13]([OH:29])=[C:12]([OH:28])[CH:4]=[CH:3]2)=[CH:7][C:16]3=[O:32])[O:38]1

Parent-child relations graph

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