| Properties | Image | Occurences in reactions |
MNX_ID | MNXM102216 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C33H36O9 |
charge | 0 |
mass | 576.23593 |
reference | chebi:66402 |
InChIKey | DHCUJGJZVIRMQU-ZZBIGSJJSA-N |
InChI | InChI=1S/C33H36O9/c1-15(2)8-9-18-23-17(11-12-29(4,5)39-23)21(34)20-24(18)40-33-27-22(35)19(26-32(33,42-26)25(20)36)14-31(33,30(6,7)41-27)13-10-16(3)28(37)38/h8,10-12,19,26-27,34H,9,13-14H2,1-7H3,(H,37,38)/b16-10-/t19-,26?,27+,31+,32?,33+/m1/s1 |
SMILES | CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H]5OC(C)(C)[C@]1(C/C=C(/C)C(=O)O)C[C@H](C5=O)C1OC14C3=O)C=CC(C)(C)O2 |
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