| Properties | Image |
|---|
| MNX_ID | MNXM1190645 |
 |
| reference | envipathM:...d7e64e0711f6 |
| formula | C33H32N3O12 |
| global charge | -1 |
| mol weight | 662.628 |
| InChIKey | PWIXQIMJZROBGR-UHFFFAOYSA-M |
| InChI | InChI=1S/C33H33N3O12/c37-24-17-26(39)25(38)15-20(24)14-21-16-27(40)28(30(42)29(21)41)36-33(46)48-12-2-1-11-47-32(45)35-23-9-5-19(6-10-23)13-18-3-7-22(8-4-18)34-31(43)44/h3-10,15-17,34,37-42H,1-2,11-14H2,(H,35,45)(H,36,46)(H,43,44)/p-1 |
| SMILES | O=C([O-])NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=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/C33H33N3O12/c37-24-17-26(39)25(38)15-20(24)14-21-16-27(40)28(30(42)29(21)41)36-33(46)48-12-2-1-11-47-32(45)35-23-9-5-19(6-10-23)13-18-3-7-22(8-4-18)34-31(43)44/h3-10,15-17,34,37-42H,1-2,11-14H2,(H,35,45)(H,36,46)(H,43,44) |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:12][O:48][C:33](=[N:36][C:28]1=[C:27]([OH:40])[CH:16]=[C:21]([CH2:14][C:20]2=[CH:15][C:25]([OH:38])=[C:26]([OH:39])[CH:17]=[C:24]2[OH:37])[C:29]([OH:41])=[C:30]1[OH:42])[OH:46])[CH2:11][O:47][C:32]([NH:35][C:23]1=[CH:10][CH:6]=[C:19]([CH2:13][C:18]2=[CH:4][CH:8]=[C:22]([NH:34][C:31](=[O:43])[OH:44])[CH:7]=[CH:3]2)[CH:5]=[CH:9]1)=[O:45] |
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