| Properties | Image |
|---|
| MNX_ID | MNXM1172166 |
 |
| reference | envipathM:...4e648197cf9a |
| formula | C33H31N3O11 |
| global charge | 0 |
| mol weight | 645.621 |
| InChIKey | KCGBJMPJOVJLGG-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H31N3O11/c37-18-34-22-8-4-21(5-9-22)29(41)25-10-11-26(31(43)30(25)42)36-33(45)47-17-24(38)13-14-46-32(44)35-23-6-1-19(2-7-23)15-20-3-12-27(39)28(40)16-20/h1-12,16,24,29,38-43H,13-15,17H2,(H,35,44)(H,36,45) |
| SMILES | O=C=NC1=CC=C(C(O)C2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=CC=C(CC4=CC=C(O)C(O)=C4)C=C3)C(O)=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H31N3O11/c37-18-34-22-8-4-21(5-9-22)29(41)25-10-11-26(31(43)30(25)42)36-33(45)47-17-24(38)13-14-46-32(44)35-23-6-1-19(2-7-23)15-20-3-12-27(39)28(40)16-20/h1-12,16,24,29,38-43H,13-15,17H2,(H,35,44)(H,36,45)/t24?,29? |
 |
| SMILES (mnx) | [CH:1]1=[CH:6][C:23]([NH:35][C:32](=[O:44])[O:46][CH2:14][CH2:13][CH:24]([CH2:17][O:47][C:33](=[N:36][C:26]2=[C:31]([OH:43])[C:30]([OH:42])=[C:25]([CH:29]([C:21]3=[CH:5][CH:9]=[C:22]([N:34]=[C:18]=[O:37])[CH:8]=[CH:4]3)[OH:41])[CH:10]=[CH:11]2)[OH:45])[OH:38])=[CH:7][CH:2]=[C:19]1[CH2:15][C:20]1=[CH:16][C:28]([OH:40])=[C:27]([OH:39])[CH:12]=[CH:3]1 |
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