Sphaeropsidin A

Properties Image MNX_ID MNXM108989 reference chebi:69494 formula C20H26O5 global charge 0 mol weight 346.423 InChIKey FEKFUWWVNCCROX-SQWSIXGCSA-N InChI InChI=1S/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1 SMILES C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)CC1 MNX internals InChI (mnx) InChI=1/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1 SMILES (mnx) [CH2:1]=[CH:5][C@@:17]1([CH3:4])[CH2:9][CH2:10][C@@:19]2([OH:23])[C:12](=[CH:11]1)[C:13](=[O:21])[C@:20]1([OH:24])[C@H:14]3[C:16]([CH3:2])([CH3:3])[CH2:7][CH2:6][CH2:8][C@@:18]32[C:15](=[O:22])[O:25]1

Parent-child relations graph

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