| Properties | Image |
|---|
| MNX_ID | MNXM108081 |
 |
| reference | chebi:68255 |
| formula | C24H29NO7 |
| global charge | 0 |
| mol weight | 443.496 |
| InChIKey | PNAZDWJMYGFNNJ-NAXDPANMSA-N |
| InChI | InChI=1S/C24H29NO7/c1-22(8-7-18(28)25-19-15(26)4-3-14(20(19)29)21(30)31)16-11-13-5-9-24(16,10-6-17(22)27)12-23(13,2)32/h3-4,6,10,13,16,26,29,32H,5,7-9,11-12H2,1-2H3,(H,25,28)(H,30,31)/t13-,16-,22-,23+,24+/m0/s1 |
| SMILES | C[C@@]1(O)C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)NC4=C(O)C=CC(C(=O)O)=C4O)[C@@H]2C[C@@H]1CC3 |
MNX internals
| InChI (mnx) | InChI=1/C24H29NO7/c1-22(8-7-18(28)25-19-15(26)4-3-14(20(19)29)21(30)31)16-11-13-5-9-24(16,10-6-17(22)27)12-23(13,2)32/h3-4,6,10,13,16,26,29,32H,5,7-9,11-12H2,1-2H3,(H,25,28)(H,30,31)/t13-,16-,22-,23+,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:22]1([CH2:8][CH2:7][C:18](=[N:25][C:19]2=[C:15]([OH:26])[CH:4]=[CH:3][C:14]([C:21](=[O:30])[OH:31])=[C:20]2[OH:29])[OH:28])[C@@H:16]2[CH2:11][C@@H:13]3[CH2:5][CH2:9][C@@:24]2([CH:10]=[CH:6][C:17]1=[O:27])[CH2:12][C@@:23]3([CH3:2])[OH:32] |
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