| Properties | Image |
|---|
| MNX_ID | MNXM42911 |
 |
| reference | chebi:2902 |
| formula | C34H30N2O9 |
| global charge | 0 |
| mol weight | 610.619 |
| InChIKey | PLAXYWZLYBHIDB-SZAHLOSFSA-N |
| InChI | InChI=1S/C34H30N2O9/c1-14(2)34-33(42)26-23(45-34)13-20(38)25-29(26)36(4)27-16(31(25)40)7-6-8-21(27)44-22-10-9-17-28(32(22)41)35(3)18-11-15(43-5)12-19(37)24(18)30(17)39/h6-14,33-34,37-38,41-42H,1-5H3/t33-,34+/m0/s1 |
| SMILES | COC1=CC2=C(C(=O)C3=C(C(O)=C(OC4=CC=CC5=C4N(C)C4=C(C5=O)C(O)=CC5=C4[C@H](O)[C@@H](C(C)C)O5)C=C3)N2C)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H30N2O9/c1-14(2)34-33(42)26-23(45-34)13-20(38)25-29(26)36(4)27-16(31(25)40)7-6-8-21(27)44-22-10-9-17-28(32(22)41)35(3)18-11-15(43-5)12-19(37)24(18)30(17)39/h6-14,33-34,37-38,41-42H,1-5H3/t33-,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[C@@H:34]1[C@@H:33]([OH:42])[C:26]2=[C:29]3[C:25](=[C:20]([OH:38])[CH:13]=[C:23]2[O:45]1)[C:31](=[O:40])[C:16]1=[C:27]([C:21]([O:44][C:22]2=[C:32]([OH:41])[C:28]4=[C:17]([CH:9]=[CH:10]2)[C:30](=[O:39])[C:24]2=[C:18]([CH:11]=[C:15]([O:43][CH3:5])[CH:12]=[C:19]2[OH:37])[N:35]4[CH3:3])=[CH:8][CH:6]=[CH:7]1)[N:36]3[CH3:4] |
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