| Properties | Image |
|---|
| MNX_ID | MNXM728093 |
 |
| reference | metacycM:CPD-9212 |
| formula | C39H64NO11 |
| global charge | 1 |
| mol weight | 722.937 |
| InChIKey | OCVQAFQRXHOFMV-IEGURRFDSA-O |
| InChI | InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3/p+1/t18-,19+,21-,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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)[NH+]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3/t18-,19+,21-,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[CH2:5][CH2:8][C@@H:25]2[C@@H:19]([CH3:2])[C@H:29]3[C@H:26]([CH2:14][C@H:24]4[C@@H:22]5[CH2:7][CH:6]=[C:20]6[CH2:13][C@@H:21]([O:48][C@H:37]7[C@H:34]([OH:47])[C@@H:35]([O:51][C@H:36]8[C@H:33]([OH:46])[C@@H:32]([OH:45])[C@H:30]([OH:43])[C@@H:27]([CH2:16][OH:41])[O:49]8)[C@@H:31]([OH:44])[C@@H:28]([CH2:17][OH:42])[O:50]7)[CH2:9][CH2:11][C@:38]6([CH3:3])[C@H:23]5[CH2:10][CH2:12][C@@:39]43[CH3:4])[N:40]2[CH2:15]1 |
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