| Properties | Image |
|---|
| MNX_ID | MNXM40643 |
 |
| reference | keggD:D02801 |
| formula | C38H67NO10 |
| global charge | 0 |
| mol weight | 697.951 |
| InChIKey | IWTSXJNGTTXMFK-KTQUSEMZSA-N |
| InChI | InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@@H:28]1[C@H:23]([CH3:6])[C@H:30]([OH:40])[C@@H:24]([CH3:7])[C:32]2=[C:20]([CH3:3])[CH2:17][C@:38]([CH3:11])([C@H:34]([O:48][C@H:36]3[C@H:31]([OH:41])[C@@H:27]([N:39]([CH3:12])[CH2:15][CH3:2])[CH2:16][C@@H:21]([CH3:4])[O:45]3)[C@@H:25]([CH3:8])[C@H:33]([O:47][C@H:29]3[CH2:19][C@@:37]([CH3:10])([O:43][CH3:13])[CH2:18][C@H:22]([CH3:5])[O:44]3)[C@@H:26]([CH3:9])[C:35](=[O:42])[O:46]1)[O:49]2 |
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