| Properties | Image |
|---|
| MNX_ID | MNXM30207 |
 |
| reference | chebi:31024 |
| formula | C44H36N2O9 |
| global charge | 0 |
| mol weight | 736.777 |
| InChIKey | MQZDOSAHCDNWQT-LQJZCPKCSA-N |
| InChI | InChI=1S/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33-/m0/s1 |
| SMILES | COC1=C(OC)C2=C(C=C1)C1=C(C3=C(C=C1)C=C1OCOC1=C3)N(C)[C@H]2CC(=O)C[C@H]1C2=C(C=C3OCOC3=C2)C2=CC=C3C=C4OCOC4=CC3=C2N1C |
MNX internals
| InChI (mnx) | InChI=1/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:45]1[C@@H:32]([CH2:13][C:24]([CH2:14][C@H:33]2[C:41]3=[C:44]([O:49][CH3:4])[C:34]([O:48][CH3:3])=[CH:10][CH:9]=[C:25]3[C:26]3=[C:42]([C:28]4=[CH:15][C:37]5=[C:35]([CH:11]=[C:22]4[CH:5]=[CH:7]3)[O:50][CH2:19][O:52]5)[N:46]2[CH3:2])=[O:47])[C:31]2=[CH:18][C:40]3=[C:39]([CH:17]=[C:30]2[C:27]2=[C:43]1[C:29]1=[CH:16][C:38]4=[C:36]([CH:12]=[C:23]1[CH:6]=[CH:8]2)[O:51][CH2:20][O:53]4)[O:54][CH2:21][O:55]3 |
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