| Properties | Image |
|---|
| MNX_ID | MNXM728085 |
 |
| reference | metacycM:CPD-9215 |
| formula | C39H64NO10 |
| global charge | 1 |
| mol weight | 706.938 |
| InChIKey | ZLSYCIYRYZUJCZ-MTXMLOAPSA-O |
| InChI | InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/p+1/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1 |
| SMILES | C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)[NH+]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]1[CH2:6][CH2:9][C@@H:26]2[C@@H:19]([CH3:2])[C@H:29]3[C@H:27]([CH2:15][C@H:25]4[C@@H:23]5[CH2:8][CH:7]=[C:21]6[CH2:14][C@@H:22]([O:48][C@H:37]7[C@H:35]([O:50][C@H:36]8[C@H:34]([OH:46])[C@H:32]([OH:44])[C@@H:30]([OH:42])[C@H:20]([CH3:3])[O:47]8)[C@@H:33]([OH:45])[C@H:31]([OH:43])[C@@H:28]([CH2:17][OH:41])[O:49]7)[CH2:10][CH2:12][C@:38]6([CH3:4])[C@H:24]5[CH2:11][CH2:13][C@@:39]43[CH3:5])[N:40]2[CH2:16]1 |
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