| Properties | Image |
|---|
| MNX_ID | MNXM1198604 |
 |
| reference | envipathM:...89590c651b8d |
| formula | C33H29N3O11 |
| global charge | 0 |
| mol weight | 643.605 |
| InChIKey | QKNMEDUNPJWBSL-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H29N3O11/c37-18-34-29-28(41)16-22(30(42)31(29)43)14-20-3-8-23(9-4-20)35-32(44)46-12-11-25(38)17-47-33(45)36-24-6-1-19(2-7-24)13-21-5-10-26(39)27(40)15-21/h1-10,15-16,39-43H,11-14,17H2,(H,35,44)(H,36,45) |
| SMILES | O=C=NC1=C(O)C(O)=C(CC2=CC=C(NC(=O)OCCC(=O)COC(=O)NC3=CC=C(CC4=CC=C(O)C(O)=C4)C=C3)C=C2)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C33H29N3O11/c37-18-34-29-28(41)16-22(30(42)31(29)43)14-20-3-8-23(9-4-20)35-32(44)46-12-11-25(38)17-47-33(45)36-24-6-1-19(2-7-24)13-21-5-10-26(39)27(40)15-21/h1-10,15-16,39-43H,11-14,17H2,(H,35,44)(H,36,45) |
 |
| SMILES (mnx) | [CH:1]1=[CH:6][C:24]([NH:36][C:33](=[O:45])[O:47][CH2:17][C:25]([CH2:11][CH2:12][O:46][C:32]([NH:35][C:23]2=[CH:9][CH:4]=[C:20]([CH2:14][C:22]3=[CH:16][C:28]([OH:41])=[C:29]([N:34]=[C:18]=[O:37])[C:31]([OH:43])=[C:30]3[OH:42])[CH:3]=[CH:8]2)=[O:44])=[O:38])=[CH:7][CH:2]=[C:19]1[CH2:13][C:21]1=[CH:15][C:27]([OH:40])=[C:26]([OH:39])[CH:10]=[CH:5]1 |
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