Pteroside D

Properties Image MNX_ID MNXM130073 reference chebi:176018 formula C21H30O8 global charge 0 mol weight 410.463 InChIKey TUGWHBZURNWRDG-LNZAMEHWSA-N InChI InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,18+,20-/m1/s1 SMILES CC1=CC2=C(C(=O)C(C)(C)[C@H]2O)C(C)=C1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,18+,20-/m1/s1 SMILES (mnx) [CH3:1][C:9]1=[CH:7][C:12]2=[C:14]([C:10]([CH3:2])=[C:11]1[CH2:5][CH2:6][O:28][C@H:20]1[C@H:17]([OH:25])[C@@H:16]([OH:24])[C@H:15]([OH:23])[C@@H:13]([CH2:8][OH:22])[O:29]1)[C:19](=[O:27])[C:21]([CH3:3])([CH3:4])[C@H:18]2[OH:26]

Parent-child relations graph

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