| Properties | Image |
|---|
| MNX_ID | MNXM739017 |
 |
| reference | biggM:anhgm4p |
| formula | C37H57N7O20 |
| global charge | -2 |
| mol weight | 919.892 |
| InChIKey | KDKDSMZXOCNOOL-UHFFFAOYSA-L |
| InChI | InChI=1S/C37H59N7O20/c1-14(31(53)43-21(9-10-25(49)50)34(56)44-20(8-6-7-19(38)36(59)60)33(55)40-15(2)35(57)58)39-32(54)16(3)62-29-22(41-17(4)47)13-61-24(12-46)30(29)64-37-26(42-18(5)48)28(52)27(51)23(11-45)63-37/h13-16,19-21,23-24,26-30,37,45-46,51-52H,6-12,38H2,1-5H3,(H,39,54)(H,40,55)(H,41,47)(H,42,48)(H,43,53)(H,44,56)(H,49,50)(H,57,58)(H,59,60)/p-2 |
| SMILES | CC(=O)NC1=COC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)NC(C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H59N7O20/c1-14(31(53)43-21(9-10-25(49)50)34(56)44-20(8-6-7-19(38)36(59)60)33(55)40-15(2)35(57)58)39-32(54)16(3)62-29-22(41-17(4)47)13-61-24(12-46)30(29)64-37-26(42-18(5)48)28(52)27(51)23(11-45)63-37/h13-16,19-21,23-24,26-30,37,45-46,51-52H,6-12,38H2,1-5H3,(H,39,54)(H,40,55)(H,41,47)(H,42,48)(H,43,53)(H,44,56)(H,49,50)(H,57,58)(H,59,60)/t14?,15?,16?,19?,20?,21?,23?,24?,26?,27?,28?,29?,30?,37? |
 |
| SMILES (mnx) | [CH3:1][CH:14]([C:31](=[N:43][CH:21]([CH2:9][CH2:10][C:25](=[O:49])[OH:50])[C:34](=[N:44][CH:20]([CH2:8][CH2:6][CH2:7][CH:19]([C:36](=[O:59])[OH:60])[NH2:38])[C:33](=[N:40][CH:15]([CH3:2])[C:35](=[O:57])[OH:58])[OH:55])[OH:56])[OH:53])[N:39]=[C:32]([CH:16]([CH3:3])[O:62][CH:29]1[C:22]([N:41]=[C:17]([CH3:4])[OH:47])=[CH:13][O:61][CH:24]([CH2:12][OH:46])[CH:30]1[O:64][CH:37]1[CH:26]([N:42]=[C:18]([CH3:5])[OH:48])[CH:28]([OH:52])[CH:27]([OH:51])[CH:23]([CH2:11][OH:45])[O:63]1)[OH:54] |
|