Dracocephalumoid A

Properties Image MNX_ID MNXM1131255 reference lipidmapsM:LMPR0104050021 formula C20H24O5 global charge 0 mol weight 344.407 InChIKey LHBNSQXRORKARD-AZSZCMADSA-N InChI InChI=1S/C20H24O5/c1-9-7-11-16(22)14-13(21)8-12-10(2)20(4,24)6-5-19(12,3)15(14)17(23)18(11)25-9/h9,12,22-24H,2,5-8H2,1,3-4H3/t9-,12-,19-,20+/m0/s1 SMILES C=C1[C@@H]2CC(=O)C3=C(C(O)=C4O[C@@H](C)CC4=C3O)[C@@]2(C)CC[C@@]1(C)O MNX internals InChI (mnx) InChI=1/C20H24O5/c1-9-7-11-16(22)14-13(21)8-12-10(2)20(4,24)6-5-19(12,3)15(14)17(23)18(11)25-9/h9,12,22-24H,2,5-8H2,1,3-4H3/t9-,12-,19-,20+/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[CH2:7][C:11]2=[C:16]([OH:22])[C:14]3=[C:15]([C:17]([OH:23])=[C:18]2[O:25]1)[C@@:19]1([CH3:3])[CH2:5][CH2:6][C@@:20]([CH3:4])([OH:24])[C:10](=[CH2:2])[C@@H:12]1[CH2:8][C:13]3=[O:21]

Parent-child relations graph

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