Penipurdin B

Properties Image MNX_ID MNXM1131088 reference lipidmapsM:LMPK13040026 formula C17H14O5 global charge 0 mol weight 298.294 InChIKey BWUKBHJLHDIIAV-QMMMGPOBSA-N InChI InChI=1S/C17H14O5/c1-8(18)5-9-6-11-15(13(20)7-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-4,6-8,18-20H,5H2,1H3/t8-/m0/s1 SMILES C[C@H](O)CC1=CC2=C(C(=O)C3=C(O)C=CC=C3C2=O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C17H14O5/c1-8(18)5-9-6-11-15(13(20)7-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-4,6-8,18-20H,5H2,1H3/t8-/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([CH2:5][C:9]1=[CH:7][C:13]([OH:20])=[C:15]2[C:11](=[CH:6]1)[C:16](=[O:21])[C:10]1=[C:14]([C:12]([OH:19])=[CH:4][CH:2]=[CH:3]1)[C:17]2=[O:22])[OH:18]

Parent-child relations graph

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