firefly oxyluciferin-dioxetanone

Properties Image MNX_ID MNXM818589 reference metacycM:CPD-20239 formula C11H6N2O4S2 global charge 0 mol weight 294.313 InChIKey SGSVGKXZUSJOKI-UHFFFAOYSA-N InChI InChI=1S/C11H6N2O4S2/c14-5-1-2-6-7(3-5)19-8(12-6)9-13-11(4-18-9)10(15)16-17-11/h1-3,14H,4H2 SMILES O=C1OOC12CSC(C1=NC3=CC=C(O)C=C3S1)=N2 MNX internals InChI (mnx) InChI=1/C11H6N2O4S2/c14-5-1-2-6-7(3-5)19-8(12-6)9-13-11(4-18-9)10(15)16-17-11/h1-3,14H,4H2/t11? SMILES (mnx) [CH:1]1=[CH:2][C:6]2=[C:7]([CH:3]=[C:5]1[OH:14])[S:19][C:8]([C:9]1=[N:13][C:11]3([CH2:4][S:18]1)[C:10](=[O:15])[O:16][O:17]3)=[N:12]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0