| Properties | Image |
|---|
| MNX_ID | MNXM102077 |
 |
| reference | chebi:67348 |
| formula | C25H30O11 |
| global charge | 0 |
| mol weight | 506.504 |
| InChIKey | YXCPQONSMLKCHP-ZRSLISBWSA-N |
| InChI | InChI=1S/C25H30O11/c1-25(32)10-9-14-15(22(30)31)11-34-23(18(14)25)36-24-21(29)20(28)19(27)16(35-24)12-33-17(26)8-7-13-5-3-2-4-6-13/h2-8,11,14,16,18-21,23-24,27-29,32H,9-10,12H2,1H3,(H,30,31)/b8-7+/t14-,16+,18-,19+,20-,21+,23-,24-,25+/m0/s1 |
| SMILES | C[C@@]1(O)CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC(=O)/C=C/C4=CC=CC=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C25H30O11/c1-25(32)10-9-14-15(22(30)31)11-34-23(18(14)25)36-24-21(29)20(28)19(27)16(35-24)12-33-17(26)8-7-13-5-3-2-4-6-13/h2-8,11,14,16,18-21,23-24,27-29,32H,9-10,12H2,1H3,(H,30,31)/b8-7+/t14-,16+,18-,19+,20-,21+,23-,24-,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:25]1([OH:32])[CH2:10][CH2:9][C@H:14]2[C:15]([C:22](=[O:30])[OH:31])=[CH:11][O:34][C@@H:23]([O:36][C@H:24]3[C@H:21]([OH:29])[C@@H:20]([OH:28])[C@H:19]([OH:27])[C@@H:16]([CH2:12][O:33][C:17](/[CH:8]=[CH:7]/[C:13]4=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]4)=[O:26])[O:35]3)[C@H:18]21 |
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