| Properties | Image |
|---|
| MNX_ID | MNXM1371043 |
 |
| reference | seedM:cpd05459 |
| formula | C34H32N2O16 |
| global charge | -2 |
| mol weight | 724.628 |
| InChIKey | ABLYPAYEBGULCD-BHPDIKMISA-L |
| InChI | InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-5,7-8,10,12-13,19,21,26,28-30,34,40-42H,6,9,11,14H2,1H3,(H4-,37,38,39,43,44,45,46,47,48)/p-2/b36-7-/t19-,21-,26+,28+,29-,30+,34+/m0/s1 |
| SMILES | COC1=CC(/C=C/C(=O)OC[C@H]2O[C@@H](OC3=CC4=C(C=C3O)/[N+](=C/CC3=CC(C(=O)[O-])=N[C@H](C(=O)[O-])C3)[C@H](C(=O)[O-])C4)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-5,7-8,10,12-13,19,21,26,28-30,34,40-42H,6,9,11,14H2,1H3,(H4-,37,38,39,43,44,45,46,47,48)/b36-7-/t19-,21-,26+,28+,29-,30+,34+/m0/s1 |
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| SMILES (mnx) | [CH3:1][O:49][C:24]1=[C:22]([OH:37])[CH:4]=[CH:2][C:15]([CH:3]=[CH:5][C:27](=[O:39])[O:50][CH2:14][C@@H:26]2[C@@H:28]([OH:40])[C@H:29]([OH:41])[C@@H:30]([OH:42])[C@H:34]([O:51][C:25]3=[C:23]([OH:38])[CH:13]=[C:20]4[C:17](=[CH:12]3)[CH2:11][C@@H:21]([C:33](=[O:47])[O-:48])/[N+:36]4=[CH:7]\[CH2:6][C:16]3=[CH:8][C:18]([C:31](=[O:43])[OH:44])=[N:35][C@H:19]([C:32](=[O:45])[OH:46])[CH2:9]3)[O:52]2)=[CH:10]1 |
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