| Properties | Image |
|---|
| MNX_ID | MNXM683044 |
 |
| reference | metacycM:CPD-19123 |
| formula | C36H62O15 |
| global charge | 0 |
| mol weight | 734.877 |
| InChIKey | IOLOYIOKSKTZEJ-JBZCSEOXSA-N |
| InChI | InChI=1S/C36H62O15/c1-7-9-10-11-12-13-14-15-16-17-27(41)48-33-29(43)25(19-37)50-36(33,21-39)51-35-32(45-24(6)40)31(49-34(44)23(5)8-2)30(26(20-38)46-35)47-28(42)18-22(3)4/h22-23,25-26,29-33,35,37-39,43H,7-21H2,1-6H3/t23?,25-,26-,29-,30-,31+,32-,33+,35-,36+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)C(C)CC)[C@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C36H62O15/c1-7-9-10-11-12-13-14-15-16-17-27(41)48-33-29(43)25(19-37)50-36(33,21-39)51-35-32(45-24(6)40)31(49-34(44)23(5)8-2)30(26(20-38)46-35)47-28(42)18-22(3)4/h22-23,25-26,29-33,35,37-39,43H,7-21H2,1-6H3/t23?,25-,26-,29-,30-,31+,32-,33+,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:27](=[O:41])[O:48][C@H:33]1[C@H:29]([OH:43])[C@@H:25]([CH2:19][OH:37])[O:50][C@@:36]1([CH2:21][OH:39])[O:51][C@@H:35]1[C@H:32]([O:45][C:24]([CH3:6])=[O:40])[C@@H:31]([O:49][C:34]([CH:23]([CH3:5])[CH2:8][CH3:2])=[O:44])[C@H:30]([O:47][C:28]([CH2:18][CH:22]([CH3:3])[CH3:4])=[O:42])[C@@H:26]([CH2:20][OH:38])[O:46]1 |
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