Brosimacutin B

Properties Image MNX_ID MNXM44806 reference chebi:185890 formula C20H22O6 global charge 0 mol weight 358.39 InChIKey MCDSHLATEYMKDN-QNSVNVJESA-N InChI InChI=1S/C20H22O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21-22,24-25H,9-10H2,1-2H3/t17-,18?/m1/s1 SMILES CC(C)(O)C(O)CC1=C(O)C=CC2=C1O[C@@H](C1=CC=C(O)C=C1)CC2=O MNX internals InChI (mnx) InChI=1/C20H22O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21-22,24-25H,9-10H2,1-2H3/t17-,18?/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])([CH:18]([CH2:9][C:14]1=[C:15]([OH:22])[CH:8]=[CH:7][C:13]2=[C:19]1[O:26][C@@H:17]([C:11]1=[CH:4][CH:6]=[C:12]([OH:21])[CH:5]=[CH:3]1)[CH2:10][C:16]2=[O:23])[OH:24])[OH:25]

Parent-child relations graph

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