taxuyunnanin C

Properties Image MNX_ID MNXM4837 reference chebi:15208 formula C28H40O8 global charge 0 mol weight 504.62 InChIKey KFFHSFCOKCGBBW-VCPDXWRASA-N InChI InChI=1S/C28H40O8/c1-14-12-21(34-17(4)30)25-26(36-19(6)32)24-15(2)20(33-16(3)29)10-11-28(24,9)13-22(35-18(5)31)23(14)27(25,7)8/h20-22,24-26H,2,10-13H2,1,3-9H3/t20-,21-,22-,24-,25-,26-,28-/m0/s1 SMILES C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C MNX internals InChI (mnx) InChI=1/C28H40O8/c1-14-12-21(34-17(4)30)25-26(36-19(6)32)24-15(2)20(33-16(3)29)10-11-28(24,9)13-22(35-18(5)31)23(14)27(25,7)8/h20-22,24-26H,2,10-13H2,1,3-9H3/t20-,21-,22-,24-,25-,26-,28-/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[C:23]2[C@@H:22]([O:35][C:18]([CH3:5])=[O:31])[CH2:13][C@:28]3([CH3:9])[CH2:11][CH2:10][C@H:20]([O:33][C:16]([CH3:3])=[O:29])[C:15](=[CH2:2])[C@H:24]3[C@H:26]([O:36][C:19]([CH3:6])=[O:32])[C@H:25]([C@@H:21]([O:34][C:17]([CH3:4])=[O:30])[CH2:12]1)[C:27]2([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0