sideroxylin

Properties Image MNX_ID MNXM108817 reference chebi:69916 formula C18H16O5 global charge 0 mol weight 312.321 InChIKey QJSQOGJCHBXLAH-UHFFFAOYSA-N InChI InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3 SMILES COC1=C(C)C(O)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1C MNX internals InChI (mnx) InChI=1/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3 SMILES (mnx) [CH3:1][C:9]1=[C:17]([O:22][CH3:3])[C:10]([CH3:2])=[C:18]2[C:15](=[C:16]1[OH:21])[C:13](=[O:20])[CH:8]=[C:14]([C:11]1=[CH:5][CH:7]=[C:12]([OH:19])[CH:6]=[CH:4]1)[O:23]2

Parent-child relations graph

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