| Properties | Image |
MNX_ID | MNXM59777 |
 |
reference | chebi:6380 |
formula | C22H30O6 |
global charge | 0 |
mol weight | 390.476 |
InChIKey | YWZRKODHWXAKHS-QNKWTIDMSA-N |
InChI | InChI=1S/C22H30O6/c1-7-15(4)20(24)28-22(6)19-17(26-16(5)23)11-13(2)9-8-10-14(3)12-18(19)27-21(22)25/h7,9,12,17-19H,8,10-11H2,1-6H3/b13-9+,14-12+,15-7-/t17-,18-,19+,22-/m0/s1 |
SMILES | C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)C[C@H](OC(C)=O)[C@H]21 |
MNX internals
InChI (mnx) | InChI=1/C22H30O6/c1-7-15(4)20(24)28-22(6)19-17(26-16(5)23)11-13(2)9-8-10-14(3)12-18(19)27-21(22)25/h7,9,12,17-19H,8,10-11H2,1-6H3/b13-9+,14-12+,15-7-/t17-,18-,19+,22-/m0/s1 |
 |
SMILES (mnx) | [CH3:1]/[CH:7]=[C:15](/[CH3:4])[C:20](=[O:24])[O:28][C@@:22]1([CH3:6])[C@@H:19]2[C@@H:17]([O:26][C:16]([CH3:5])=[O:23])[CH2:11]/[C:13]([CH3:2])=[CH:9]/[CH2:8][CH2:10]/[C:14]([CH3:3])=[CH:12]/[C@@H:18]2[O:27][C:21]1=[O:25] |
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