| Properties | Image | Occurences in reactions |
MNX_ID | MNXM166586 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C21H30O5 |
charge | 0 |
mass | 362.20932 |
reference | sabiorkM:26690 |
InChIKey | IIBOWSHDTFRYKU-WHIQTFJJSA-N |
InChI | InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-12,14-17,19,22,25H,2-10H2,1H3/t12-,14-,15-,16+,17-,19+,20-,21+/m0/s1 |
SMILES | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12 |
|