| Properties | Image |
|---|
| MNX_ID | MNXM161090 |
 |
| reference | chebi:82962 |
| formula | C24H31NaO8 |
| global charge | 0 |
| mol weight | 470.494 |
| InChIKey | UQSHTUQZFYMYFO-VGYGJRAWSA-M |
| InChI | InChI=1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+;/m1./s1 |
| SMILES | C[C@]12CC[C@@H]3C4=C(C=C(O)C=C4)CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+;/m1./s1 |
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| SMILES (mnx) | [CH3:1][C@:24]12[CH2:9][CH2:8][C@@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([OH:25])[CH:10]=[C:11]4[CH2:2][CH2:4][C@H:15]3[C@@H:16]1[CH2:6][CH2:7][C@@H:17]2[O:31][C@H:23]1[C@H:20]([OH:28])[C@@H:18]([OH:26])[C@H:19]([OH:27])[C@@H:21]([C:22](=[O:29])[OH:30])[O:32]1.[Na+:33] |
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