| Properties | Image |
|---|
| MNX_ID | MNXM1175703 |
 |
| reference | envipathM:...c08d3d593317 |
| formula | C37H47N3O6 |
| global charge | 0 |
| mol weight | 629.798 |
| InChIKey | QOFOPMNUZMEESW-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H47N3O6/c1-4-7-10-25(5-2)23-45-29-16-18-31(33(43)21-29)36-38-35(27-12-14-28(42)15-13-27)39-37(40-36)32-19-17-30(22-34(32)44)46-24-26(6-3)11-8-9-20-41/h12-19,21-22,25-26,41-44H,4-11,20,23-24H2,1-3H3 |
| SMILES | CCCCC(CC)COC1=CC=C(C2=NC(C3=CC=C(O)C=C3)=NC(C3=CC=C(OCC(CC)CCCCO)C=C3O)=N2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C37H47N3O6/c1-4-7-10-25(5-2)23-45-29-16-18-31(33(43)21-29)36-38-35(27-12-14-28(42)15-13-27)39-37(40-36)32-19-17-30(22-34(32)44)46-24-26(6-3)11-8-9-20-41/h12-19,21-22,25-26,41-44H,4-11,20,23-24H2,1-3H3/t25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:25]([CH2:5][CH3:2])[CH2:23][O:45][C:29]1=[CH:21][C:33]([OH:43])=[C:31]([C:36]2=[N:40][C:37]([C:32]3=[C:34]([OH:44])[CH:22]=[C:30]([O:46][CH2:24][CH:26]([CH2:6][CH3:3])[CH2:11][CH2:8][CH2:9][CH2:20][OH:41])[CH:17]=[CH:19]3)=[N:39][C:35]([C:27]3=[CH:13][CH:15]=[C:28]([OH:42])[CH:14]=[CH:12]3)=[N:38]2)[CH:18]=[CH:16]1 |
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