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MNXM8540 is deprecated and here replaced by MNXM1104878
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1104878 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 3 |
in models (compartimentalized) |
0 |
|
formula | C29H44O8 |
charge | 0 |
mass | 520.30362 |
reference | metacycM:CPD-10538 |
InChIKey | WQMLFJWIKARBFW-KEYYLQDISA-N |
InChI | InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17-,18+,19-,20+,21-,23+,24+,25-,26-,27+,28-,29+/m1/s1 |
SMILES | C[C@H]1O[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@H]1O |
|
Parent-child relations graph |
Deprecated MNXref IDs graph |