| Properties | Image |
|---|
| MNX_ID | MNXM17974 |
 |
| reference | metacycM:CPD-6984 |
| formula | C19H23O5 |
| global charge | -1 |
| mol weight | 331.388 |
| InChIKey | HHDWSDSMWJQURA-QHBBZOLPSA-M |
| InChI | InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/p-1/t10-,11+,12-,13-,14-,17+,18+,19-/m1/s1 |
| SMILES | C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@@H](O)C[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,14-,17+,18+,19-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:9]1[CH2:5][C@:18]23[CH2:6][C@H:10]1[CH2:3][CH2:4][C@H:12]2[C@:19]12[CH2:8][C@@H:11]([OH:20])[CH2:7][C@@:17]([CH3:2])([C@H:14]1[C@@H:13]3[C:15](=[O:21])[OH:22])[C:16](=[O:23])[O:24]2 |
|