| Properties | Image |
|---|
| MNX_ID | MNXM1173661 |
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| reference | envipathM:...146f5edebc98 |
| formula | C34H32N4O12 |
| global charge | -2 |
| mol weight | 688.646 |
| InChIKey | PIMSNIIHPXXMQM-UHFFFAOYSA-L |
| InChI | InChI=1S/C34H34N4O12/c39-26(18-50-33(47)37-25-11-3-20(4-12-25)15-19-1-7-23(8-2-19)35-31(43)44)13-14-49-34(48)38-28-27(40)17-22(29(41)30(28)42)16-21-5-9-24(10-6-21)36-32(45)46/h1-12,17,26,35-36,39-42H,13-16,18H2,(H,37,47)(H,38,48)(H,43,44)(H,45,46)/p-2 |
| SMILES | O=C([O-])NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=C(O)C(O)=C(CC4=CC=C(NC(=O)[O-])C=C4)C=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H34N4O12/c39-26(18-50-33(47)37-25-11-3-20(4-12-25)15-19-1-7-23(8-2-19)35-31(43)44)13-14-49-34(48)38-28-27(40)17-22(29(41)30(28)42)16-21-5-9-24(10-6-21)36-32(45)46/h1-12,17,26,35-36,39-42H,13-16,18H2,(H,37,47)(H,38,48)(H,43,44)(H,45,46)/t26? |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:23]([NH:35][C:31](=[O:43])[OH:44])=[CH:8][CH:2]=[C:19]1[CH2:15][C:20]1=[CH:4][CH:12]=[C:25]([NH:37][C:33](=[O:47])[O:50][CH2:18][CH:26]([CH2:13][CH2:14][O:49][C:34](=[N:38][C:28]2=[C:27]([OH:40])[CH:17]=[C:22]([CH2:16][C:21]3=[CH:6][CH:10]=[C:24]([NH:36][C:32](=[O:45])[OH:46])[CH:9]=[CH:5]3)[C:29]([OH:41])=[C:30]2[OH:42])[OH:48])[OH:39])[CH:11]=[CH:3]1 |
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