| Properties | Image |
|---|
| MNX_ID | MNXM47498 |
 |
| reference | chebi:81415 |
| formula | C27H33NO11 |
| global charge | 0 |
| mol weight | 547.557 |
| InChIKey | UXAFRQPVHYZDED-ZZEDUEFDSA-N |
| InChI | InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1 |
| SMILES | COC1=CC=C2C(=CC1=O)[C@@H](NC(C)=O)CCC1=C2C(OC)=C(OC)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:12](=[N:28][C@H:16]1[CH2:7][CH2:5][C:13]2=[C:21]([C:14]3=[CH:6][CH:8]=[C:18]([O:35][CH3:2])[C:17](=[O:31])[CH:10]=[C:15]31)[C:26]([O:37][CH3:4])=[C:25]([O:36][CH3:3])[C:19]([O:38][C@H:27]1[C@H:24]([OH:34])[C@@H:23]([OH:33])[C@H:22]([OH:32])[C@@H:20]([CH2:11][OH:29])[O:39]1)=[CH:9]2)[OH:30] |
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