| Properties | Image |
|---|
| MNX_ID | MNXM1177651 |
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| reference | envipathM:...56a128d88919 |
| formula | C46H59N3O10 |
| global charge | -2 |
| mol weight | 813.989 |
| InChIKey | BSVGMQSQUZIUBR-UHFFFAOYSA-L |
| InChI | InChI=1S/C46H61N3O10/c1-7-9-11-14-24-57-36-21-18-32(40(52)29(36)4)43-47-44(33-19-22-37(30(5)41(33)53)58-25-15-12-10-8-2)49-45(48-43)34-20-23-38(31(6)42(34)54)59-26-16-13-17-28(3)35(46(55)56)27-39(50)51/h18-23,28,35,52-54H,7-17,24-27H2,1-6H3,(H,50,51)(H,55,56)/p-2 |
| SMILES | CCCCCCOC1=CC=C(C2=NC(C3=CC=C(OCCCCCC)C(C)=C3O)=NC(C3=CC=C(OCCCCC(C)C(CC(=O)[O-])C(=O)[O-])C(C)=C3O)=N2)C(O)=C1C |
MNX internals
| InChI (mnx) | InChI=1/C46H61N3O10/c1-7-9-11-14-24-57-36-21-18-32(40(52)29(36)4)43-47-44(33-19-22-37(30(5)41(33)53)58-25-15-12-10-8-2)49-45(48-43)34-20-23-38(31(6)42(34)54)59-26-16-13-17-28(3)35(46(55)56)27-39(50)51/h18-23,28,35,52-54H,7-17,24-27H2,1-6H3,(H,50,51)(H,55,56)/t28?,35? |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:14][CH2:24][O:57][C:36]1=[C:29]([CH3:4])[C:40]([OH:52])=[C:32]([C:43]2=[N:47][C:44]([C:33]3=[C:41]([OH:53])[C:30]([CH3:5])=[C:37]([O:58][CH2:25][CH2:15][CH2:12][CH2:10][CH2:8][CH3:2])[CH:22]=[CH:19]3)=[N:49][C:45]([C:34]3=[C:42]([OH:54])[C:31]([CH3:6])=[C:38]([O:59][CH2:26][CH2:16][CH2:13][CH2:17][CH:28]([CH3:3])[CH:35]([CH2:27][C:39](=[O:50])[OH:51])[C:46](=[O:55])[OH:56])[CH:23]=[CH:20]3)=[N:48]2)[CH:18]=[CH:21]1 |
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