| Properties | Image |
|---|
| MNX_ID | MNXM1193155 |
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| reference | envipathM:...eb7ade008175 |
| formula | C33H29N3O9 |
| global charge | 0 |
| mol weight | 611.607 |
| InChIKey | QUIVRNZNKUSMRO-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H29N3O9/c37-20-34-25-8-1-21(2-9-25)17-22-3-10-26(11-4-22)35-32(42)44-16-15-28(38)19-45-33(43)36-27-12-5-23(6-13-27)31(41)24-7-14-29(39)30(40)18-24/h1-14,18,31,39-41H,15-17,19H2,(H,35,42)(H,36,43) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCC(=O)COC(=O)NC3=CC=C(C(O)C4=CC=C(O)C(O)=C4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H29N3O9/c37-20-34-25-8-1-21(2-9-25)17-22-3-10-26(11-4-22)35-32(42)44-16-15-28(38)19-45-33(43)36-27-12-5-23(6-13-27)31(41)24-7-14-29(39)30(40)18-24/h1-14,18,31,39-41H,15-17,19H2,(H,35,42)(H,36,43)/t31? |
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| SMILES (mnx) | [CH:1]1=[CH:8][C:25]([N:34]=[C:20]=[O:37])=[CH:9][CH:2]=[C:21]1[CH2:17][C:22]1=[CH:4][CH:11]=[C:26]([NH:35][C:32](=[O:42])[O:44][CH2:16][CH2:15][C:28]([CH2:19][O:45][C:33]([NH:36][C:27]2=[CH:13][CH:6]=[C:23]([CH:31]([C:24]3=[CH:18][C:30]([OH:40])=[C:29]([OH:39])[CH:14]=[CH:7]3)[OH:41])[CH:5]=[CH:12]2)=[O:43])=[O:38])[CH:10]=[CH:3]1 |
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