| Properties | Image |
|---|
| MNX_ID | MNXM738934 |
 |
| reference | chebi:82006 |
| formula | C37H61NO12 |
| global charge | 0 |
| mol weight | 711.89 |
| InChIKey | QABCJBNUVVMWAL-QBPANRIESA-N |
| InChI | InChI=1S/C37H61NO12/c1-11-27-24(18-45-37-35(44-10)34(43-9)30(41)23(6)47-37)33-28(49-33)14-13-26(39)20(3)16-21(4)32(19(2)12-15-29(40)48-27)50-36-31(42)25(38(7)8)17-22(5)46-36/h12-15,19-25,27-28,30-37,41-42H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24+,25-,27+,28+,30+,31+,32+,33+,34+,35+,36-,37+/m0/s1 |
| SMILES | CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]2O[C@@H]2[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |
MNX internals
| InChI (mnx) | InChI=1/C37H61NO12/c1-11-27-24(18-45-37-35(44-10)34(43-9)30(41)23(6)47-37)33-28(49-33)14-13-26(39)20(3)16-21(4)32(19(2)12-15-29(40)48-27)50-36-31(42)25(38(7)8)17-22(5)46-36/h12-15,19-25,27-28,30-37,41-42H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24+,25-,27+,28+,30+,31+,32+,33+,34+,35+,36-,37+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C@@H:27]1[C@@H:24]([CH2:18][O:45][C@H:37]2[C@H:35]([O:44][CH3:10])[C@H:34]([O:43][CH3:9])[C@H:30]([OH:41])[C@@H:23]([CH3:6])[O:47]2)[C@@H:33]2[C@@H:28](/[CH:14]=[CH:13]/[C:26](=[O:39])[C@H:20]([CH3:3])[CH2:16][C@H:21]([CH3:4])[C@H:32]([O:50][C@H:36]3[C@H:31]([OH:42])[C@@H:25]([N:38]([CH3:7])[CH3:8])[CH2:17][C@@H:22]([CH3:5])[O:46]3)[C@@H:19]([CH3:2])/[CH:12]=[CH:15]/[C:29](=[O:40])[O:48]1)[O:49]2 |
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