| Properties | Image |
|---|
| MNX_ID | MNXM738765 |
 |
| reference | sabiorkM:14462 |
| formula | C27H31NO10 |
| global charge | 0 |
| mol weight | 529.542 |
| InChIKey | HJEZFVLKJYFNQW-OXCIRTNUSA-N |
| InChI | InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11+,14-,16-,17-,22+,27-/m0/s1 |
| SMILES | COC1=CC=CC2=C1C(=O)C1=C(C2=O)C(O)=C2C[C@@](O)([C@@H](C)O)C[C@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2=C1O |
MNX internals
| InChI (mnx) | InChI=1/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11+,14-,16-,17-,22+,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@@H:22]([OH:30])[C@@H:14]([NH2:28])[CH2:7][C@H:17]([O:38][C@H:16]2[CH2:9][C@@:27]([C@@H:11]([CH3:2])[OH:29])([OH:35])[CH2:8][C:13]3=[C:24]([OH:32])[C:20]4=[C:21]([C:25](=[O:33])[C:18]5=[C:12]([CH:5]=[CH:4][CH:6]=[C:15]5[O:36][CH3:3])[C:23]4=[O:31])[C:26]([OH:34])=[C:19]32)[O:37]1 |
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