| Properties | Image |
|---|
| MNX_ID | MNXM1171922 |
 |
| reference | envipathM:...1995bce321e5 |
| formula | C33H31N3O11 |
| global charge | 0 |
| mol weight | 645.621 |
| InChIKey | ZGSBCRDCXQXIQK-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H31N3O11/c37-18-34-21-7-3-19(4-8-21)15-20-5-9-22(10-6-20)35-32(44)46-13-1-2-14-47-33(45)36-25-12-11-23(30(42)31(25)43)29(41)24-16-27(39)28(40)17-26(24)38/h3-12,16-17,29,38-43H,1-2,13-15H2,(H,35,44)(H,36,45) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(C(O)C4=C(O)C=C(O)C(O)=C4)C(O)=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H31N3O11/c37-18-34-21-7-3-19(4-8-21)15-20-5-9-22(10-6-20)35-32(44)46-13-1-2-14-47-33(45)36-25-12-11-23(30(42)31(25)43)29(41)24-16-27(39)28(40)17-26(24)38/h3-12,16-17,29,38-43H,1-2,13-15H2,(H,35,44)(H,36,45)/t29? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:14][O:47][C:33](=[N:36][C:25]1=[C:31]([OH:43])[C:30]([OH:42])=[C:23]([CH:29]([C:24]2=[CH:16][C:27]([OH:39])=[C:28]([OH:40])[CH:17]=[C:26]2[OH:38])[OH:41])[CH:11]=[CH:12]1)[OH:45])[CH2:13][O:46][C:32]([NH:35][C:22]1=[CH:10][CH:6]=[C:20]([CH2:15][C:19]2=[CH:4][CH:8]=[C:21]([N:34]=[C:18]=[O:37])[CH:7]=[CH:3]2)[CH:5]=[CH:9]1)=[O:44] |
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