| Properties | Image |
|---|
| MNX_ID | MNXM16339 |
 |
| reference | chebi:81879 |
| formula | C28H33NO10 |
| global charge | 0 |
| mol weight | 543.569 |
| InChIKey | HINUXGZHCXYZMB-DJNFHWKQSA-N |
| InChI | InChI=1S/C28H33NO10/c1-5-28(37)10-15(39-16-9-13(29(3)4)22(31)11(2)38-16)18-21(27(28)36)26(35)19-20(25(18)34)24(33)17-12(23(19)32)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-31,34-37H,5,9-10H2,1-4H3/t11-,13-,15-,16-,22+,27+,28+/m0/s1 |
| SMILES | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H33NO10/c1-5-28(37)10-15(39-16-9-13(29(3)4)22(31)11(2)38-16)18-21(27(28)36)26(35)19-20(25(18)34)24(33)17-12(23(19)32)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-31,34-37H,5,9-10H2,1-4H3/t11-,13-,15-,16-,22+,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@@:28]1([OH:37])[CH2:10][C@H:15]([O:39][C@H:16]2[CH2:9][C@H:13]([N:29]([CH3:3])[CH3:4])[C@H:22]([OH:31])[C@H:11]([CH3:2])[O:38]2)[C:18]2=[C:25]([OH:34])[C:20]3=[C:19]([C:23](=[O:32])[C:12]4=[C:17]([C:14]([OH:30])=[CH:8][CH:6]=[CH:7]4)[C:24]3=[O:33])[C:26]([OH:35])=[C:21]2[C@H:27]1[OH:36] |
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