| Properties | Image |
|---|
| MNX_ID | MNXM108830 |
 |
| reference | chebi:66486 |
| formula | C25H34O9 |
| global charge | 0 |
| mol weight | 478.538 |
| InChIKey | OKIKYYZNNZCZRX-ZPUVFWQWSA-N |
| InChI | InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25-/m1/s1 |
| SMILES | CC[C@@H](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@@H](O)[C@H](O)[C@]4(C)OC[C@]32[C@@H]14 |
MNX internals
| InChI (mnx) | InChI=1/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@@H:10]([CH3:2])[C:21](=[O:30])[O:34][C@@H:16]1[C@H:18]2[C@:24]3([CH3:5])[C@@H:20]([OH:29])[C@H:15]([OH:27])[C@@H:17]4[C@:23]5([CH3:4])[C@@H:12]([CH2:8][C@H:14]([C@:25]42[CH2:9][O:32]3)[O:33][C:22]1=[O:31])[C:11]([CH3:3])=[CH:7][C:13](=[O:26])[C@H:19]5[OH:28] |
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