| Name |
Dubioside A |
| Formula |
C53H82O24 |
| Mw |
1102.51960355 |
| CAS RN |
122587-95-5 |
| C_ID |
C00039050
, 
|
| InChIKey |
MHYSNOVLVKZZAP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H82O24/c1-21-30(58)33(61)37(65)43(71-21)75-40-31(59)24(56)19-70-45(40)77-47(69)53-15-14-48(2,3)16-23(53)22-8-9-27-49(4)12-11-29(50(5,20-55)26(49)10-13-51(27,6)52(22,7)17-28(53)57)73-46-41(36(64)35(63)39(74-46)42(67)68)76-44-38(66)34(62)32(60)25(18-54)72-44/h8,20-21,23-41,43-46,54,56-66H,9-19H2,1-7H3,(H,67,68)/t21-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33-,34-,35-,36-,37-,38+,39-,40-,41+,43+,44-,45+,46+,49+,50+,51-,52+,53-/m0/s1 |
| SMILES |
C1(CC[C@@]2([C@H](C1)C1=CC[C@H]3[C@@]([C@@]1(C[C@@H]2O)C)(CC[C@H]1[C@]3(CC[C@H]([C@@]1(C=O)C)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(=O)O)C)C)C(=O)O[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Thladiantha dubia  | Ref. |
|
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