| Properties | Image |
|---|
| MNX_ID | MNXM1195911 |
 |
| reference | envipathM:...1378caf16b44 |
| formula | C34H28N4O11 |
| global charge | 0 |
| mol weight | 668.615 |
| InChIKey | PFRPUKBSCAFFHQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H28N4O11/c39-18-35-24-7-1-20(2-8-24)15-23-16-28(42)29(32(45)31(23)44)38-34(47)48-14-13-27(41)17-49-33(46)37-26-11-5-22(6-12-26)30(43)21-3-9-25(10-4-21)36-19-40/h1-12,16,27,41-42,44-45H,13-15,17H2,(H,37,46)(H,38,47) |
| SMILES | O=C=NC1=CC=C(CC2=C(O)C(O)=C(NC(=O)OCCC(O)COC(=O)NC3=CC=C(C(=O)C4=CC=C(N=C=O)C=C4)C=C3)C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H28N4O11/c39-18-35-24-7-1-20(2-8-24)15-23-16-28(42)29(32(45)31(23)44)38-34(47)48-14-13-27(41)17-49-33(46)37-26-11-5-22(6-12-26)30(43)21-3-9-25(10-4-21)36-19-40/h1-12,16,27,41-42,44-45H,13-15,17H2,(H,37,46)(H,38,47)/t27? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:24]([N:35]=[C:18]=[O:39])=[CH:8][CH:2]=[C:20]1[CH2:15][C:23]1=[CH:16][C:28]([OH:42])=[C:29]([N:38]=[C:34]([OH:47])[O:48][CH2:14][CH2:13][CH:27]([CH2:17][O:49][C:33]([NH:37][C:26]2=[CH:12][CH:6]=[C:22]([C:30]([C:21]3=[CH:4][CH:10]=[C:25]([N:36]=[C:19]=[O:40])[CH:9]=[CH:3]3)=[O:43])[CH:5]=[CH:11]2)=[O:46])[OH:41])[C:32]([OH:45])=[C:31]1[OH:44] |
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