| Properties | Image |
|---|
| MNX_ID | MNXM1176656 |
 |
| reference | envipathM:...a1dab85661da |
| formula | C34H31N4O12 |
| global charge | -1 |
| mol weight | 687.638 |
| InChIKey | ICAXRLNVZVCFQV-UHFFFAOYSA-M |
| InChI | InChI=1S/C34H32N4O12/c39-18-35-28-27(41)16-22(30(43)31(28)44)15-19-1-7-24(8-2-19)38-34(48)50-17-26(40)13-14-49-33(47)37-25-11-5-21(6-12-25)29(42)20-3-9-23(10-4-20)36-32(45)46/h1-12,16,26,29,36,40-44H,13-15,17H2,(H,37,47)(H,38,48)(H,45,46)/p-1 |
| SMILES | O=C=NC1=C(O)C(O)=C(CC2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=CC=C(C(O)C4=CC=C(NC(=O)[O-])C=C4)C=C3)C=C2)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C34H32N4O12/c39-18-35-28-27(41)16-22(30(43)31(28)44)15-19-1-7-24(8-2-19)38-34(48)50-17-26(40)13-14-49-33(47)37-25-11-5-21(6-12-25)29(42)20-3-9-23(10-4-20)36-32(45)46/h1-12,16,26,29,36,40-44H,13-15,17H2,(H,37,47)(H,38,48)(H,45,46)/t26?,29? |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:24]([NH:38][C:34](=[O:48])[O:50][CH2:17][CH:26]([CH2:13][CH2:14][O:49][C:33]([NH:37][C:25]2=[CH:12][CH:6]=[C:21]([CH:29]([C:20]3=[CH:4][CH:10]=[C:23]([NH:36][C:32](=[O:45])[OH:46])[CH:9]=[CH:3]3)[OH:42])[CH:5]=[CH:11]2)=[O:47])[OH:40])=[CH:8][CH:2]=[C:19]1[CH2:15][C:22]1=[CH:16][C:27]([OH:41])=[C:28]([N:35]=[C:18]=[O:39])[C:31]([OH:44])=[C:30]1[OH:43] |
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