| Name |
Symplocososide B |
| Formula |
C63H100O23 |
| Mw |
1224.6655395 |
| CAS RN |
819855-81-7 |
| C_ID |
C00043950
, 
|
| InChIKey |
UIXOAAHDLBYLIC-XDHGNCIJNA-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+/m1/s1 |
| SMILES |
C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO)C(=O)OC)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1([C@H]([C@H]([C@@]1([C@H]2CC([C@H]([C@@H]1OC(=O)[C@@H](CC)C)OC(=O)/C=C(/CCC=C(C)C)\C)(C)C)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
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