| Name |
Helianthoside 4 |
| Formula |
C64H104O31 |
| Mw |
1368.65615661 |
| CAS RN |
942626-11-1 |
| C_ID |
C00039361
, 
|
| InChIKey |
FQTQZRLQNYGWHP-ONFCCBOTNA-N |
| InChICode |
InChI=1S/C64H104O31/c1-24-36(71)40(75)44(79)53(86-24)93-50-47(82)56(89-31(20-66)49(50)92-52-43(78)37(72)28(68)21-84-52)90-35-12-13-60(5)32(61(35,6)23-67)11-14-62(7)33(60)10-9-26-27-17-59(3,4)15-16-64(27,34(70)18-63(26,62)8)58(83)95-57-51(38(73)29(69)22-85-57)94-54-46(81)42(77)48(25(2)87-54)91-55-45(80)41(76)39(74)30(19-65)88-55/h9,24-25,27-57,65-82H,10-23H2,1-8H3/t24-,25-,27-,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+,60-,61+,62+,63+,64+/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(CO)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)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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