| Properties | Image |
|---|
| MNX_ID | MNXM167478 |
 |
| reference | sabiorkM:28741 |
| formula | C44H28ClN2O14P |
| global charge | 0 |
| mol weight | 875.135 |
| InChIKey | UVPYIGFTWKHIHK-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H28ClN2O14P/c45-35-20-33-23(17-41(52)59-39(33)21-36(35)50)16-40(51)46-24-2-8-28(9-3-24)60-62(56,57)61-29-10-4-25(5-11-29)47-43(53)22-1-12-30(44(54)55)34(15-22)42-31-13-6-26(48)18-37(31)58-38-19-27(49)7-14-32(38)42/h1-15,17-21,48,50H,16H2,(H,46,51)(H,47,53)(H,54,55)(H,56,57) |
| SMILES | O=C1C=CC2=C(C3=C(C(=O)O)C=CC(C(=O)NC4=CC=C(OP(=O)(O)OC5=CC=C(NC(=O)CC6=CC(=O)OC7=CC(O)=C(Cl)C=C67)C=C5)C=C4)=C3)C3=C(C=C(O)C=C3)OC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C44H28ClN2O14P/c45-35-20-33-23(17-41(52)59-39(33)21-36(35)50)16-40(51)46-24-2-8-28(9-3-24)60-62(56,57)61-29-10-4-25(5-11-29)47-43(53)22-1-12-30(44(54)55)34(15-22)42-31-13-6-26(48)18-37(31)58-38-19-27(49)7-14-32(38)42/h1-15,17-21,48,50H,16H2,(H,46,51)(H,47,53)(H,54,55)(H,56,57) |
 |
| SMILES (mnx) | [CH:1]1=[CH:12][C:30]([C:44](=[O:54])[OH:55])=[C:34]([C:42]2=[C:32]3[CH:14]=[CH:7][C:27](=[O:49])[CH:19]=[C:38]3[O:58][C:37]3=[C:31]2[CH:13]=[CH:6][C:26]([OH:48])=[CH:18]3)[CH:15]=[C:22]1[C:43]([NH:47][C:25]1=[CH:5][CH:11]=[C:29]([O:61][P:62]([OH:56])(=[O:57])[O:60][C:28]2=[CH:9][CH:3]=[C:24]([NH:46][C:40]([CH2:16][C:23]3=[CH:17][C:41](=[O:52])[O:59][C:39]4=[CH:21][C:36]([OH:50])=[C:35]([Cl:45])[CH:20]=[C:33]34)=[O:51])[CH:2]=[CH:8]2)[CH:10]=[CH:4]1)=[O:53] |
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