| Name |
Helianthoside 1 |
| Formula |
C64H104O29 |
| Mw |
1336.66632736 |
| CAS RN |
139051-63-1 |
| C_ID |
C00039358
, 
|
| InChIKey |
HRLBXTNYZCUPNV-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C64H104O29/c1-25-36(69)40(73)44(77)53(84-25)92-51-47(80)49(90-52-43(76)37(70)29(67)23-82-52)32(22-66)87-57(51)88-35-13-14-61(7)33(60(35,5)6)12-15-63(9)34(61)11-10-27-28-20-59(3,4)16-18-64(28,19-17-62(27,63)8)58(81)93-56-50(38(71)30(68)24-83-56)91-54-46(79)42(75)48(26(2)85-54)89-55-45(78)41(74)39(72)31(21-65)86-55/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26+,28+,29+,30+,31-,32-,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44+,45+,46+,47-,48+,49-,50+,51-,52+,53-,54-,55-,56-,57+,61-,62-,63+,64+/m0/s1 |
| SMILES |
C1(CC[C@@]2([C@H](C1)C1=CC[C@@H]3[C@]([C@]1(CC2)C)(CC[C@H]1[C@@]3(CC[C@H](C1(C)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)C)O)O)O)O)O[C@@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)CO)C)C)C(=O)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Helianthus annuus  | Ref. |
|
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