| Properties | Image |
|---|
| MNX_ID | MNXM167500 |
 |
| reference | sabiorkM:26660 |
| formula | C27H30NO6 |
| global charge | 1 |
| mol weight | 464.538 |
| InChIKey | CQLKKFODLDAYGC-HEXNFIEUSA-O |
| InChI | InChI=1S/C27H29NO6/c1-28(26-24(31)22(29)23(30)25(34-26)27(32)33)14-12-18(13-15-28)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,22-26,29-31H,12-15H2,1H3/p+1/t22-,23-,24+,25-,26+/m0/s1 |
| SMILES | C[N+]1([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CCC(=C2C3=CC=CC=C3C=CC3=CC=CC=C32)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C27H29NO6/c1-28(26-24(31)22(29)23(30)25(34-26)27(32)33)14-12-18(13-15-28)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,22-26,29-31H,12-15H2,1H3/t22-,23-,24+,25-,26+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N+:28]1([C@H:26]2[C@H:24]([OH:31])[C@@H:22]([OH:29])[C@H:23]([OH:30])[C@@H:25]([C:27](=[O:32])[O-:33])[O:34]2)[CH2:14][CH2:12][C:18](=[C:21]2[C:19]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:16]3[CH:10]=[CH:11][C:17]3=[CH:7][CH:3]=[CH:5][CH:9]=[C:20]32)[CH2:13][CH2:15]1 |
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