| Properties | Image |
|---|
| MNX_ID | MNXM53427 |
 |
| reference | metacycM:FLAVONOL-3-O-L-RHAMNOSYLGLUCOSIDE |
| formula | C27H32O15 |
| global charge | 0 |
| mol weight | 596.538 |
| InChIKey | GBPHSZXQDOPTCQ-HLKULVSNSA-N |
| InChI | InChI=1S/C27H32O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-16-19(33)21(35)23(37)27(41-16)42-25-18(32)12-4-3-11(28)7-15(12)40-24(25)10-2-5-13(29)14(30)6-10/h2-7,9,16-17,19-31,33-37H,8H2,1H3/t9-,16+,17-,19-,20+,21-,22+,23+,24+,25+,26+,27-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3C(=O)C4=CC=C(O)C=C4O[C@@H]3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H32O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-16-19(33)21(35)23(37)27(41-16)42-25-18(32)12-4-3-11(28)7-15(12)40-24(25)10-2-5-13(29)14(30)6-10/h2-7,9,16-17,19-31,33-37H,8H2,1H3/t9-,16+,17-,19-,20+,21-,22+,23+,24+,25+,26+,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:17]([OH:31])[C@@H:20]([OH:34])[C@@H:22]([OH:36])[C@H:26]([O:38][CH2:8][C@@H:16]2[C@H:19]([OH:33])[C@H:21]([OH:35])[C@@H:23]([OH:37])[C@H:27]([O:42][C@@H:25]3[C:18](=[O:32])[C:12]4=[C:15]([CH:7]=[C:11]([OH:28])[CH:3]=[CH:4]4)[O:40][C@@H:24]3[C:10]3=[CH:6][C:14]([OH:30])=[C:13]([OH:29])[CH:5]=[CH:2]3)[O:41]2)[O:39]1 |
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