| Properties | Image |
|---|
| MNX_ID | MNXM1170515 |
 |
| reference | envipathM:...6a1b1832d2f1 |
| formula | C34H30N4O12 |
| global charge | 0 |
| mol weight | 686.63 |
| InChIKey | BLHGJCYDZLVGJL-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H30N4O12/c39-17-35-22-7-1-19(2-8-22)13-20-3-9-24(10-4-20)37-33(47)49-15-27(42)28(43)16-50-34(48)38-29-26(41)14-25(31(45)32(29)46)30(44)21-5-11-23(12-6-21)36-18-40/h1-12,14,27-28,30,41-46H,13,15-16H2,(H,37,47)(H,38,48) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)C(O)COC(=O)NC3=C(O)C(O)=C(C(O)C4=CC=C(N=C=O)C=C4)C=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H30N4O12/c39-17-35-22-7-1-19(2-8-22)13-20-3-9-24(10-4-20)37-33(47)49-15-27(42)28(43)16-50-34(48)38-29-26(41)14-25(31(45)32(29)46)30(44)21-5-11-23(12-6-21)36-18-40/h1-12,14,27-28,30,41-46H,13,15-16H2,(H,37,47)(H,38,48)/t27?,28?,30? |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:22]([N:35]=[C:17]=[O:39])=[CH:8][CH:2]=[C:19]1[CH2:13][C:20]1=[CH:4][CH:10]=[C:24]([NH:37][C:33](=[O:47])[O:49][CH2:15][CH:27]([CH:28]([CH2:16][O:50][C:34](=[N:38][C:29]2=[C:26]([OH:41])[CH:14]=[C:25]([CH:30]([C:21]3=[CH:6][CH:12]=[C:23]([N:36]=[C:18]=[O:40])[CH:11]=[CH:5]3)[OH:44])[C:31]([OH:45])=[C:32]2[OH:46])[OH:48])[OH:43])[OH:42])[CH:9]=[CH:3]1 |
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