| Properties | Image |
|---|
| MNX_ID | MNXM156715 |
 |
| reference | keggD:D08563 |
| formula | C20H26N4O6S |
| global charge | 0 |
| mol weight | 450.517 |
| InChIKey | BQCQVDMEHSONNK-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H22N4O3.CH4O3S/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2;1-5(2,3)4/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23);1H3,(H,2,3,4) |
| SMILES | COC1=C(OC)C2=C(C=CC(C3CC3)O2)C(CC2=C(N)N=C(N)N=C2)=C1.CS(=O)(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H22N4O3.CH4O3S/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2;1-5(2,3)4/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23);1H3,(H,2,3,4)/t14?; |
 |
| SMILES (mnx) | [CH3:1][O:24][C:15]1=[CH:8][C:11]([CH2:7][C:12]2=[CH:9][NH:22][C:19](=[NH:21])[NH:23][C:18]2=[NH:20])=[C:13]2[CH:5]=[CH:6][CH:14]([CH:10]3[CH2:3][CH2:4]3)[O:26][C:16]2=[C:17]1[O:25][CH3:2].[CH3:27][S:31]([OH:28])(=[O:29])=[O:30] |
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