| Name |
Symplocososide A |
| Formula |
C63H100O23 |
| Mw |
1224.6655395 |
| CAS RN |
819855-79-3 |
| C_ID |
C00043949
, 
|
| InChIKey |
UIXOAAHDLBYLIC-OIPILUEVNA-N |
| InChICode |
InChI=1S/C63H100O23/c1-14-31(5)53(76)86-52-51(82-39(67)24-30(4)17-15-16-29(2)3)58(6,7)25-33-32-18-19-37-60(10)22-21-38(59(8,9)36(60)20-23-61(37,11)62(32,12)49(74)50(75)63(33,52)28-66)81-57-47(84-56-44(72)42(70)40(68)34(26-64)79-56)45(73)46(48(85-57)54(77)78-13)83-55-43(71)41(69)35(27-65)80-55/h16,18,24,31,33-38,40-52,55-57,64-66,68-75H,14-15,17,19-23,25-28H2,1-13H3/b30-24-/t31-,33-,34+,35-,36-,37+,38-,40+,41-,42-,43+,44+,45-,46-,47+,48-,49-,50+,51-,52-,55-,56-,57+,60-,61+,62-,63-/m0/s1 |
| SMILES |
CCC(C)C(=O)O[C@H]1[C@H](OC(=O)/C=C(/C)CCC=C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)OC)[C@@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
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