| Properties | Image |
|---|
| MNX_ID | MNXM1171912 |
 |
| reference | envipathM:...7a0295a8d039 |
| formula | C22H24N2O8 |
| global charge | 0 |
| mol weight | 444.44 |
| InChIKey | LGXKKKKCNRBXGB-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H24N2O8/c1-8-9-5-4-6-11(25)12(9)15(26)13-10(8)7-21(31)17(24(2)3)16(27)14(20(23)30)19(29)22(21,32)18(13)28/h4-6,14,17,19,25-26,29,31-32H,7H2,1-3H3,(H2,23,30) |
| SMILES | CC1=C2CC3(O)C(N(C)C)C(=O)C(C(N)=O)C(O)C3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12 |
MNX internals
| InChI (mnx) | InChI=1/C22H24N2O8/c1-8-9-5-4-6-11(25)12(9)15(26)13-10(8)7-21(31)17(24(2)3)16(27)14(20(23)30)19(29)22(21,32)18(13)28/h4-6,14,17,19,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t14?,17?,19?,21?,22? |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[C:9]2[CH:5]=[CH:4][CH:6]=[C:11]([OH:25])[C:12]2=[C:15]([OH:26])[C:13]2=[C:10]1[CH2:7][C:21]1([OH:31])[CH:17]([N:24]([CH3:2])[CH3:3])[C:16](=[O:27])[CH:14]([C:20](=[NH:23])[OH:30])[CH:19]([OH:29])[C:22]1([OH:32])[C:18]2=[O:28] |
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