| Properties | Image |
|---|
| MNX_ID | MNXM45395 |
 |
| reference | keggC:C17908 |
| formula | C36H36N2O8 |
| global charge | 0 |
| mol weight | 624.69 |
| InChIKey | XYTYRVFKBJENPE-HEVIKAOCSA-N |
| InChI | InChI=1S/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m0/s1 |
| SMILES | COC1=C(O)C=C2C(=C1)C=C(C(=O)NCCC1=CC=C(O)C=C1)[C@H](C(=O)NCCC1=CC=C(O)C=C1)[C@H]2C1=CC(OC)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:45][C:31]1=[C:29]([OH:41])[CH:12]=[CH:7][C:23]([C@H:33]2[C:27]3=[CH:20][C:30]([OH:42])=[C:32]([O:46][CH3:2])[CH:19]=[C:24]3[CH:17]=[C:28]([C:35]([NH:37][CH2:15][CH2:13][C:21]3=[CH:4][CH:9]=[C:25]([OH:39])[CH:8]=[CH:3]3)=[O:43])[C@@H:34]2[C:36](=[N:38][CH2:16][CH2:14][C:22]2=[CH:6][CH:11]=[C:26]([OH:40])[CH:10]=[CH:5]2)[OH:44])=[CH:18]1 |
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