| Name |
Macrocliniside I |
| Formula |
C33H48O18 |
| Mw |
732.28406473 |
| CAS RN |
100187-63-1 |
| C_ID |
C00021004
, 
|
| InChIKey |
BNQARADBCICMOZ-ZVFFZFIVNA-N |
| InChICode |
InChI=1S/C33H48O18/c1-10-4-5-13-11(2)30(44)49-27(13)19-12(3)15(6-14(10)19)45-31-25(42)23(40)28(18(9-36)48-31)50-33-26(43)29(21(38)17(8-35)47-33)51-32-24(41)22(39)20(37)16(7-34)46-32/h13-29,31-43H,1-9H2/t13-,14-,15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,31+,32-,33-/m0/s1 |
| SMILES |
[C@@H]12[C@@H]([C@@H]3[C@@H](CCC1=C)C(=C)C(=O)O3)C(=C)[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Macroclinidium trilobum | Ref. |
|
|
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