Spinacetin 3-rutinoside

Properties Image MNX_ID MNXM130870 reference chebi:192459 formula C29H34O17 global charge 0 mol weight 654.574 InChIKey GYMVARJSAYZGSZ-UHFFFAOYSA-N InChI InChI=1S/C29H34O17/c1-9-17(32)21(36)23(38)28(43-9)42-8-15-18(33)22(37)24(39)29(45-15)46-27-20(35)16-14(7-12(31)26(41-3)19(16)34)44-25(27)10-4-5-11(30)13(6-10)40-2/h4-7,9,15,17-18,21-24,28-34,36-39H,8H2,1-3H3 SMILES COC1=C(O)C=CC(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=O)C3=C(C=C(O)C(OC)=C3O)O2)=C1 MNX internals InChI (mnx) InChI=1/C29H34O17/c1-9-17(32)21(36)23(38)28(43-9)42-8-15-18(33)22(37)24(39)29(45-15)46-27-20(35)16-14(7-12(31)26(41-3)19(16)34)44-25(27)10-4-5-11(30)13(6-10)40-2/h4-7,9,15,17-18,21-24,28-34,36-39H,8H2,1-3H3/t9?,15?,17?,18?,21?,22?,23?,24?,28?,29? SMILES (mnx) [CH3:1][CH:9]1[CH:17]([OH:32])[CH:21]([OH:36])[CH:23]([OH:38])[CH:28]([O:42][CH2:8][CH:15]2[CH:18]([OH:33])[CH:22]([OH:37])[CH:24]([OH:39])[CH:29]([O:46][C:27]3=[C:25]([C:10]4=[CH:6][C:13]([O:40][CH3:2])=[C:11]([OH:30])[CH:5]=[CH:4]4)[O:44][C:14]4=[C:16]([C:19]([OH:34])=[C:26]([O:41][CH3:3])[C:12]([OH:31])=[CH:7]4)[C:20]3=[O:35])[O:45]2)[O:43]1

Parent-child relations graph

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