| Properties | Image |
|---|
| MNX_ID | MNXM107443 |
 |
| reference | chebi:66836 |
| formula | C36H32N2O8 |
| global charge | 0 |
| mol weight | 620.658 |
| InChIKey | YPOUKZJOAMKOEN-UHFFFAOYSA-N |
| InChI | InChI=1S/C36H32N2O8/c1-35(2)12-11-17-29-26(32(43)16-8-6-9-19(39)27(16)37-29)33(44)24(34(17)46-35)18-14-36(3,4)45-22-13-21(41)25-30(23(18)22)38-28-15(31(25)42)7-5-10-20(28)40/h5-10,13,18,39-41,44H,11-12,14H2,1-4H3,(H,37,43)(H,38,42) |
| SMILES | CC1(C)CC(C2=C3OC(C)(C)CCC3=C3NC4=C(O)C=CC=C4C(=O)C3=C2O)C2=C3NC4=C(O)C=CC=C4C(=O)C3=C(O)C=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C36H32N2O8/c1-35(2)12-11-17-29-26(32(43)16-8-6-9-19(39)27(16)37-29)33(44)24(34(17)46-35)18-14-36(3,4)45-22-13-21(41)25-30(23(18)22)38-28-15(31(25)42)7-5-10-20(28)40/h5-10,13,18,39-41,44H,11-12,14H2,1-4H3,(H,37,43)(H,38,42)/t18? |
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| SMILES (mnx) | [CH3:1][C:35]1([CH3:2])[CH2:12][CH2:11][C:17]2=[C:34]([C:24]([CH:18]3[CH2:14][C:36]([CH3:3])([CH3:4])[O:45][C:22]4=[CH:13][C:21]([OH:41])=[C:25]5[C:30](=[C:23]34)[NH:38][C:28]3=[C:15]([CH:7]=[CH:5][CH:10]=[C:20]3[OH:40])[C:31]5=[O:42])=[C:33]([OH:44])[C:26]3=[C:29]2[NH:37][C:27]2=[C:16]([CH:8]=[CH:6][CH:9]=[C:19]2[OH:39])[C:32]3=[O:43])[O:46]1 |
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