| Properties | Image |
|---|
| MNX_ID | MNXM102323 |
 |
| reference | chebi:70593 |
| formula | C19H24O6 |
| global charge | 0 |
| mol weight | 348.395 |
| InChIKey | CDXKGPDOCVNEGD-LWRJZMKISA-N |
| InChI | InChI=1S/C19H24O6/c1-9-4-6-13(21)14-16-19(25-17(14)23)8-10(2)18(3,24-16)15(22)11(19)5-7-12(9)20/h5,7,9-12,15,20,22H,4,6,8H2,1-3H3/b7-5+/t9-,10?,11?,12-,15-,18?,19-/m1/s1 |
| SMILES | CC1C[C@]23OC(=O)C4=C2OC1(C)[C@H](O)C3/C=C/[C@@H](O)[C@H](C)CCC4=O |
MNX internals
| InChI (mnx) | InChI=1/C19H24O6/c1-9-4-6-13(21)14-16-19(25-17(14)23)8-10(2)18(3,24-16)15(22)11(19)5-7-12(9)20/h5,7,9-12,15,20,22H,4,6,8H2,1-3H3/b7-5+/t9-,10?,11?,12-,15-,18?,19-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]1[CH2:4][CH2:6][C:13](=[O:21])[C:14]2=[C:16]3[C@:19]4([CH2:8][CH:10]([CH3:2])[C:18]([CH3:3])([C@H:15]([OH:22])[CH:11]4/[CH:5]=[CH:7]/[C@H:12]1[OH:20])[O:24]3)[O:25][C:17]2=[O:23] |
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