| Properties | Image |
|---|
| MNX_ID | MNXM130297 |
 |
| reference | chebi:72590 |
| formula | C35H47NO9 |
| global charge | 0 |
| mol weight | 625.759 |
| InChIKey | OWPCHSCAPHNHAV-QIPOKPRISA-N |
| InChI | InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35-/m1/s1 |
| SMILES | CO[C@@H](/C(C)=C/C=C/C(C)=C/C1=COC(C)=N1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19](/[CH:9]=[CH:8]/[CH:10]=[C:21](\[CH3:3])[C@@H:32]([C@@H:22]([CH3:4])[C@@H:27]1[CH2:17][C@H:29]([OH:37])[C@:35]2([CH3:6])[C@@H:30](/[CH:12]=[CH:11]/[C@@H:20]([CH3:2])[C@H:26]3[CH2:14][C@@H:24]([CH2:15][C@H:28]4[C@H:33]([C:34](=[O:39])[O:44]1)[O:43]4)[CH2:16][C:31](=[O:38])[O:42]3)[O:45]2)[O:40][CH3:7])=[CH:13]\[C:25]1=[CH:18][O:41][C:23]([CH3:5])=[N:36]1 |
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