| Properties | Image |
|---|
| MNX_ID | MNXM683051 |
 |
| reference | metacycM:CPD-19048 |
| formula | C27H46O14 |
| global charge | 0 |
| mol weight | 594.651 |
| InChIKey | YUKHDORWTMHOFN-MAKMTIOGSA-N |
| InChI | InChI=1S/C27H46O14/c1-7-15(6)25(35)39-23-21(34)26(36-17(11-29)22(23)37-18(31)8-13(2)3)41-27(12-30)24(20(33)16(10-28)40-27)38-19(32)9-14(4)5/h13-17,20-24,26,28-30,33-34H,7-12H2,1-6H3/t15?,16-,17-,20-,21-,22-,23-,24+,26-,27+/m1/s1 |
| SMILES | CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O14/c1-7-15(6)25(35)39-23-21(34)26(36-17(11-29)22(23)37-18(31)8-13(2)3)41-27(12-30)24(20(33)16(10-28)40-27)38-19(32)9-14(4)5/h13-17,20-24,26,28-30,33-34H,7-12H2,1-6H3/t15?,16-,17-,20-,21-,22-,23-,24+,26-,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH:15]([CH3:6])[C:25](=[O:35])[O:39][C@@H:23]1[C@@H:21]([OH:34])[C@@H:26]([O:41][C@@:27]2([CH2:12][OH:30])[C@@H:24]([O:38][C:19]([CH2:9][CH:14]([CH3:4])[CH3:5])=[O:32])[C@H:20]([OH:33])[C@@H:16]([CH2:10][OH:28])[O:40]2)[O:36][C@H:17]([CH2:11][OH:29])[C@H:22]1[O:37][C:18]([CH2:8][CH:13]([CH3:2])[CH3:3])=[O:31] |
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