| Properties | Image |
|---|
| MNX_ID | MNXM108056 |
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| reference | chebi:68249 |
| formula | C24H27NO7 |
| global charge | 0 |
| mol weight | 441.48 |
| InChIKey | KCPPASJQWABQQM-IKLOFXBVSA-N |
| InChI | InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18?,23+,24?/m1/s1 |
| SMILES | C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)NC4=C(O)C=CC(C(=O)O)=C4O)[C@@H]2C[C@@H]1CC3O |
MNX internals
| InChI (mnx) | InChI=1/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18?,23+,24?/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:12]1[CH2:11][C:24]23[CH:8]=[CH:5][C:17](=[O:27])[C@@:23]([CH3:2])([CH2:7][CH2:6][C:19](=[N:25][C:20]4=[C:15]([OH:26])[CH:4]=[CH:3][C:14]([C:22](=[O:31])[OH:32])=[C:21]4[OH:30])[OH:29])[C@@H:16]2[CH2:9][C@@H:13]1[CH2:10][CH:18]3[OH:28] |
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