| Properties | Image |
|---|
| MNX_ID | MNXM126922 |
 |
| reference | hmdb:HMDB0041754 |
| formula | C27H31O15 |
| global charge | 1 |
| mol weight | 595.53 |
| InChIKey | NZLZAGYUNATZMP-UVSNCIQKSA-O |
| InChI | InChI=1S/C27H30O15/c1-37-16-3-2-10(4-14(16)31)24-18(7-12-13(30)5-11(29)6-17(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m1/s1 |
| SMILES | COC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O15/c1-37-16-3-2-10(4-14(16)31)24-18(7-12-13(30)5-11(29)6-17(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:37][C:16]1=[C:14]([O-:31])[CH:4]=[C:10]([C:24]2=[O+:39][C:17]3=[CH:6][C:11]([OH:29])=[CH:5][C:13]([OH:30])=[C:12]3[CH:7]=[C:18]2[O:40][C@H:27]2[C@H:25]([O:42][C@H:26]3[C@H:23]([OH:36])[C@@H:20]([OH:33])[C@H:15]([OH:32])[CH2:9][O:38]3)[C@@H:22]([OH:35])[C@H:21]([OH:34])[C@@H:19]([CH2:8][OH:28])[O:41]2)[CH:2]=[CH:3]1 |
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