| Properties | Image |
|---|
| MNX_ID | MNXM40956 |
 |
| reference | chebi:10214 |
| formula | C29H42O11 |
| global charge | 0 |
| mol weight | 566.644 |
| InChIKey | MFIXZHBJWSBQJA-OZQKXHGLSA-N |
| InChI | InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1 |
| SMILES | C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]1[C@H:22]([OH:33])[C@@H:23]([OH:34])[C@@H:24]([OH:35])[C@H:25]([O:40][C@H:16]2[CH2:3][CH2:6][C@:27]3([CH:13]=[O:30])[C@H:19]4[CH2:10][C@@H:20]([OH:31])[C@:26]5([CH3:2])[C@@H:17]([C:15]6=[CH:9][C:21](=[O:32])[O:38][CH2:12]6)[CH2:5][CH2:8][C@:29]5([OH:37])[C@@H:18]4[CH2:4][CH2:7][C@:28]3([OH:36])[CH2:11]2)[O:39]1 |
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