| Properties | Image |
|---|
| MNX_ID | MNXM1181551 |
 |
| reference | envipathM:...617c77fd1d44 |
| formula | C33H32N3O12 |
| global charge | -1 |
| mol weight | 662.628 |
| InChIKey | ORKOFBOTGFQBGY-UHFFFAOYSA-M |
| InChI | InChI=1S/C33H33N3O12/c37-25-12-3-18(16-27(25)39)15-23-26(38)17-24(30(42)29(23)41)36-33(46)48-14-2-1-13-47-32(45)35-22-10-6-20(7-11-22)28(40)19-4-8-21(9-5-19)34-31(43)44/h3-12,16-17,28,34,37-42H,1-2,13-15H2,(H,35,45)(H,36,46)(H,43,44)/p-1 |
| SMILES | O=C([O-])NC1=CC=C(C(O)C2=CC=C(NC(=O)OCCCCOC(=O)NC3=C(O)C(O)=C(CC4=CC=C(O)C(O)=C4)C(O)=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H33N3O12/c37-25-12-3-18(16-27(25)39)15-23-26(38)17-24(30(42)29(23)41)36-33(46)48-14-2-1-13-47-32(45)35-22-10-6-20(7-11-22)28(40)19-4-8-21(9-5-19)34-31(43)44/h3-12,16-17,28,34,37-42H,1-2,13-15H2,(H,35,45)(H,36,46)(H,43,44)/t28? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:14][O:48][C:33](=[N:36][C:24]1=[CH:17][C:26]([OH:38])=[C:23]([CH2:15][C:18]2=[CH:16][C:27]([OH:39])=[C:25]([OH:37])[CH:12]=[CH:3]2)[C:29]([OH:41])=[C:30]1[OH:42])[OH:46])[CH2:13][O:47][C:32]([NH:35][C:22]1=[CH:11][CH:7]=[C:20]([CH:28]([C:19]2=[CH:5][CH:9]=[C:21]([NH:34][C:31](=[O:43])[OH:44])[CH:8]=[CH:4]2)[OH:40])[CH:6]=[CH:10]1)=[O:45] |
|