| Properties | Image |
|---|
| MNX_ID | MNXM1183998 |
 |
| reference | envipathM:...6c01f47ec839 |
| formula | C33H31N3O12 |
| global charge | 0 |
| mol weight | 661.62 |
| InChIKey | ZZTUAAQFFQAQKX-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H31N3O12/c37-17-34-22-5-1-18(2-6-22)11-19-3-7-23(8-4-19)35-32(45)48-16-24(38)9-10-47-33(46)36-29-28(42)14-21(30(43)31(29)44)12-20-13-26(40)27(41)15-25(20)39/h1-8,13-15,24,38-44H,9-12,16H2,(H,35,45)(H,36,46) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=C(O)C(O)=C(CC4=C(O)C=C(O)C(O)=C4)C=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H31N3O12/c37-17-34-22-5-1-18(2-6-22)11-19-3-7-23(8-4-19)35-32(45)48-16-24(38)9-10-47-33(46)36-29-28(42)14-21(30(43)31(29)44)12-20-13-26(40)27(41)15-25(20)39/h1-8,13-15,24,38-44H,9-12,16H2,(H,35,45)(H,36,46)/t24? |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:22]([N:34]=[C:17]=[O:37])=[CH:6][CH:2]=[C:18]1[CH2:11][C:19]1=[CH:4][CH:8]=[C:23]([NH:35][C:32](=[O:45])[O:48][CH2:16][CH:24]([CH2:9][CH2:10][O:47][C:33](=[N:36][C:29]2=[C:28]([OH:42])[CH:14]=[C:21]([CH2:12][C:20]3=[CH:13][C:26]([OH:40])=[C:27]([OH:41])[CH:15]=[C:25]3[OH:39])[C:30]([OH:43])=[C:31]2[OH:44])[OH:46])[OH:38])[CH:7]=[CH:3]1 |
|