| Properties | Image |
|---|
| MNX_ID | MNXM148249 |
 |
| reference | metacycM:CPD-16839 |
| formula | C27H44O9 |
| global charge | 0 |
| mol weight | 512.64 |
| InChIKey | VOMYWCJIBGWNMX-ODELHIPGSA-N |
| InChI | InChI=1S/C27H44O9/c1-12(2)16-8-19(29)27(4)9-17-14(11-34-5)6-7-15(17)13(3)21(30)25(20(16)27)36-26-24(33)23(32)22(31)18(10-28)35-26/h9,12-15,18-19,21-26,28-33H,6-8,10-11H2,1-5H3/b17-9-/t13-,14-,15+,18-,19+,21-,22-,23+,24-,25-,26-,27+/m1/s1 |
| SMILES | COC[C@H]1CC[C@@H]2/C1=C\[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O9/c1-12(2)16-8-19(29)27(4)9-17-14(11-34-5)6-7-15(17)13(3)21(30)25(20(16)27)36-26-24(33)23(32)22(31)18(10-28)35-26/h9,12-15,18-19,21-26,28-33H,6-8,10-11H2,1-5H3/b17-9-/t13-,14-,15+,18-,19+,21-,22-,23+,24-,25-,26-,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[C:16]1=[C:20]2[C@@H:25]([O:36][C@@H:26]3[C@H:24]([OH:33])[C@@H:23]([OH:32])[C@H:22]([OH:31])[C@@H:18]([CH2:10][OH:28])[O:35]3)[C@H:21]([OH:30])[C@H:13]([CH3:3])[C@@H:15]3[CH2:7][CH2:6][C@H:14]([CH2:11][O:34][CH3:5])/[C:17]3=[CH:9]/[C@@:27]2([CH3:4])[C@@H:19]([OH:29])[CH2:8]1 |
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