| Properties | Image |
|---|
| MNX_ID | MNXM1190048 |
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| reference | envipathM:...694ef15a6ad0 |
| formula | C29H29N3O9 |
| global charge | 0 |
| mol weight | 563.563 |
| InChIKey | YUCIYIZMMDBGLF-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H29N3O9/c33-14-13-25(35)20-5-10-23(11-6-20)31-28(38)40-15-1-2-16-41-29(39)32-24-12-7-21(26(36)27(24)37)17-19-3-8-22(9-4-19)30-18-34/h3-12,14,25,35-37H,1-2,13,15-17H2,(H,31,38)(H,32,39) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(C(O)CC=O)C=C3)C(O)=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H29N3O9/c33-14-13-25(35)20-5-10-23(11-6-20)31-28(38)40-15-1-2-16-41-29(39)32-24-12-7-21(26(36)27(24)37)17-19-3-8-22(9-4-19)30-18-34/h3-12,14,25,35-37H,1-2,13,15-17H2,(H,31,38)(H,32,39)/t25? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:41][C:29](=[N:32][C:24]1=[C:27]([OH:37])[C:26]([OH:36])=[C:21]([CH2:17][C:19]2=[CH:4][CH:9]=[C:22]([N:30]=[C:18]=[O:34])[CH:8]=[CH:3]2)[CH:7]=[CH:12]1)[OH:39])[CH2:15][O:40][C:28]([NH:31][C:23]1=[CH:11][CH:6]=[C:20]([CH:25]([CH2:13][CH:14]=[O:33])[OH:35])[CH:5]=[CH:10]1)=[O:38] |
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