| Properties | Image |
|---|
| MNX_ID | MNXM147751 |
 |
| reference | metacycM:CPD-18056 |
| formula | C22H29NO6 |
| global charge | 0 |
| mol weight | 403.475 |
| InChIKey | ASBKGJSDHSLXIL-AYKBXPPYSA-N |
| InChI | InChI=1S/C22H29NO6/c1-5-17(13-25)12-15(3)11-14(2)7-6-8-16(4)18(26)22-19(29-22)21(28,9-10-24)23-20(22)27/h5-8,11-12,19,24-25,28H,9-10,13H2,1-4H3,(H,23,27)/b7-6+,14-11+,15-12+,16-8+,17-5+/t19-,21-,22-/m0/s1 |
| SMILES | C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C22H29NO6/c1-5-17(13-25)12-15(3)11-14(2)7-6-8-16(4)18(26)22-19(29-22)21(28,9-10-24)23-20(22)27/h5-8,11-12,19,24-25,28H,9-10,13H2,1-4H3,(H,23,27)/b7-6+,14-11+,15-12+,16-8+,17-5+/t19-,21-,22-/m0/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:5]=[C:17](\[CH:12]=[C:15]([CH3:3])\[CH:11]=[C:14]([CH3:2])\[CH:7]=[CH:6]\[CH:8]=[C:16](/[CH3:4])[C:18]([C@:22]12[C@H:19]([C@:21]([CH2:9][CH2:10][OH:24])([OH:28])[N:23]=[C:20]1[OH:27])[O:29]2)=[O:26])[CH2:13][OH:25] |
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