4,5-Dihydroniveusin A

Properties Image MNX_ID MNXM117748 reference chebi:175970 formula C20H28O8 global charge 0 mol weight 396.436 InChIKey SNUZCOSRHAIVKC-KABXGVFYSA-N InChI InChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5,12-16,21-22,25H,3,6-9H2,1-2,4H3/b10-5-/t12?,13-,14-,15+,16-,19-,20-/m1/s1 SMILES C=C1C(=O)O[C@@H]2CC(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@H]12)O3 MNX internals InChI (mnx) InChI=1/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5,12-16,21-22,25H,3,6-9H2,1-2,4H3/b10-5-/t12?,13-,14-,15+,16-,19-,20-/m1/s1 SMILES (mnx) [CH3:1]/[CH:5]=[C:10](/[CH3:2])[C:17](=[O:23])[O:27][C@@H:14]1[CH2:7][C@:19]2([CH3:4])[C@@H:15]([OH:22])[CH2:8][C@:20]([OH:25])([CH:12]([CH2:9][OH:21])[CH2:6][C@@H:13]3[C@H:16]1[C:11](=[CH2:3])[C:18](=[O:24])[O:26]3)[O:28]2

Parent-child relations graph

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