| Properties | Image |
|---|
| MNX_ID | MNXM103263 |
 |
| reference | chebi:65516 |
| formula | C26H27NO7 |
| global charge | 0 |
| mol weight | 465.502 |
| InChIKey | GMELFDQPUZSJEE-XHBGPGOOSA-N |
| InChI | InChI=1S/C26H27NO7/c1-3-12-7-13-9-17(29)22-23(20(13)16(28)8-12)25(31)14-5-4-6-18(21(14)26(22)32)34-19-10-15(27)24(30)11(2)33-19/h4-6,9,11-12,15,19,24,29-30H,3,7-8,10,27H2,1-2H3/t11-,12-,15+,19-,24-/m0/s1 |
| SMILES | CC[C@@H]1CC(=O)C2=C(C=C(O)C3=C2C(=O)C2=C(C3=O)C(O[C@H]3C[C@@H](N)[C@@H](O)[C@H](C)O3)=CC=C2)C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H27NO7/c1-3-12-7-13-9-17(29)22-23(20(13)16(28)8-12)25(31)14-5-4-6-18(21(14)26(22)32)34-19-10-15(27)24(30)11(2)33-19/h4-6,9,11-12,15,19,24,29-30H,3,7-8,10,27H2,1-2H3/t11-,12-,15+,19-,24-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:12]1[CH2:7][C:13]2=[CH:9][C:17]([OH:29])=[C:22]3[C:23](=[C:20]2[C:16](=[O:28])[CH2:8]1)[C:25](=[O:31])[C:14]1=[C:21]([C:18]([O:34][C@H:19]2[CH2:10][C@@H:15]([NH2:27])[C@@H:24]([OH:30])[C@H:11]([CH3:2])[O:33]2)=[CH:6][CH:4]=[CH:5]1)[C:26]3=[O:32] |
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