| Properties | Image |
|---|
| MNX_ID | MNXM147691 |
 |
| reference | metacycM:CPD-15785 |
| formula | C41H51NO15 |
| global charge | 0 |
| mol weight | 797.851 |
| InChIKey | FZXGUTZRXQXBMU-UFJKXKKKSA-N |
| InChI | InChI=1S/C41H51NO15/c1-7-41(51)16-27(32-21(34(41)40(49)50)13-22-33(37(32)48)36(47)31-20(35(22)46)9-8-10-25(31)44)55-29-14-23(42(5)6)38(18(3)53-29)57-30-15-26(45)39(19(4)54-30)56-28-12-11-24(43)17(2)52-28/h8-10,13,17-19,23,26-30,34,38-39,44-45,48,51H,7,11-12,14-16H2,1-6H3,(H,49,50)/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41+/m0/s1 |
| SMILES | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH+](C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)C2=C(C=C3C(=O)C4=C(C(=O)C3=C2O)C(O)=CC=C4)[C@H]1C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H51NO15/c1-7-41(51)16-27(32-21(34(41)40(49)50)13-22-33(37(32)48)36(47)31-20(35(22)46)9-8-10-25(31)44)55-29-14-23(42(5)6)38(18(3)53-29)57-30-15-26(45)39(19(4)54-30)56-28-12-11-24(43)17(2)52-28/h8-10,13,17-19,23,26-30,34,38-39,44-45,48,51H,7,11-12,14-16H2,1-6H3,(H,49,50)/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C@@:41]1([OH:51])[CH2:16][C@H:27]([O:55][C@H:29]2[CH2:14][C@H:23]([N:42]([CH3:5])[CH3:6])[C@H:38]([O:57][C@H:30]3[CH2:15][C@H:26]([OH:45])[C@H:39]([O:56][C@H:28]4[CH2:12][CH2:11][C:24](=[O:43])[C@H:17]([CH3:2])[O:52]4)[C@H:19]([CH3:4])[O:54]3)[C@H:18]([CH3:3])[O:53]2)[C:32]2=[C:21]([CH:13]=[C:22]3[C:33](=[C:37]2[OH:48])[C:36](=[O:47])[C:31]2=[C:20]([CH:9]=[CH:8][CH:10]=[C:25]2[OH:44])[C:35]3=[O:46])[C@H:34]1[C:40](=[O:49])[OH:50] |
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