| Properties | Image |
|---|
| MNX_ID | MNXM166456 |
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| reference | sabiorkM:20927 |
| formula | C18H25NO13 |
| global charge | 0 |
| mol weight | 463.392 |
| InChIKey | IAYJZWFYUSNIPN-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2 |
| SMILES | O=[N+]([O-])C1=CC=C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9?,10?,11?,12?,13?,14?,15?,16?,17?,18? |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:8]([O:29][CH:17]2[CH:15]([OH:26])[CH:13]([OH:24])[CH:16]([O:32][CH:18]3[CH:14]([OH:25])[CH:12]([OH:23])[CH:11]([OH:22])[CH:9]([CH2:5][OH:20])[O:30]3)[CH:10]([CH2:6][OH:21])[O:31]2)=[CH:4][CH:2]=[C:7]1[N+:19]([O-:27])=[O:28] |
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