15-decarboxymethyl-epsilon-rhodomycinone

Properties Image MNX_ID MNXM148606 reference metacycM:CPD-15788 formula C20H18O7 global charge 0 mol weight 370.357 InChIKey QPLXURBBRSWPAU-YBTHPKLGSA-N InChI InChI=1S/C20H18O7/c1-2-20(27)6-9-13(11(22)7-20)19(26)15-14(17(9)24)16(23)8-4-3-5-10(21)12(8)18(15)25/h3-5,11,21-22,24,26-27H,2,6-7H2,1H3/t11-,20-/m0/s1 SMILES CC[C@]1(O)CC2=C(C(O)=C3C(=O)C4=C(C=CC=C4O)C(=O)C3=C2O)[C@@H](O)C1 MNX internals InChI (mnx) InChI=1/C20H18O7/c1-2-20(27)6-9-13(11(22)7-20)19(26)15-14(17(9)24)16(23)8-4-3-5-10(21)12(8)18(15)25/h3-5,11,21-22,24,26-27H,2,6-7H2,1H3/t11-,20-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][C@:20]1([OH:27])[CH2:6][C:9]2=[C:17]([OH:24])[C:14]3=[C:15]([C:18](=[O:25])[C:12]4=[C:8]([CH:4]=[CH:3][CH:5]=[C:10]4[OH:21])[C:16]3=[O:23])[C:19]([OH:26])=[C:13]2[C@@H:11]([OH:22])[CH2:7]1

Parent-child relations graph

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