| Properties | Image |
|---|
| MNX_ID | MNXM40473 |
 |
| reference | chebi:2521 |
| formula | C25H34O9 |
| global charge | 0 |
| mol weight | 478.538 |
| InChIKey | GCIFFNDSOLTCAI-FPUKFSPFSA-N |
| InChI | InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,15-,16-,17-,18-,19-,22-,23-,24+,25+/m1/s1 |
| SMILES | CCC(C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O |
MNX internals
| InChI (mnx) | InChI=1/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,15-,16-,17-,18-,19-,22-,23-,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH:10]([CH3:2])[C:20](=[O:29])[O:34][C@@H:17]1[C@H:16]2[C@@H:12]([CH3:4])[C@@H:18]([OH:27])[C@@:25]3([OH:31])[C@@H:22]4[C@:23]5([CH3:5])[C@@H:13]([CH2:8][C@H:15]([C@@:24]24[CH2:9][O:32]3)[O:33][C:21]1=[O:30])[C:11]([CH3:3])=[CH:7][C:14](=[O:26])[C@H:19]5[OH:28] |
|