input word = C00033383

Metabolite InformationStructural formula
Name Squarroside I
Formula C48H80O16
Mw 912.54463651
CAS RN 288840-54-0
C_ID C00033383 ,
InChIKey BGNWSRYEYDYZKE-CNXDTQAXNA-N
InChICode InChI=1S/C48H80O16/c1-22(19-49)9-10-27(51)23(2)26-13-15-46(8)30-12-11-29-44(5,6)31(14-16-47(29)21-48(30,47)18-17-45(26,46)7)62-43-40(64-41-36(56)34(54)32(52)24(3)59-41)38(58)39(25(4)60-43)63-42-37(57)35(55)33(53)28(20-50)61-42/h9,23-43,49-58H,10-21H2,1-8H3/b22-9-/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,45+,46-,47+,48-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H]([C@H](C/C=C(/C)\CO)O)C)C)C)C3)(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]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum squarrosum Ref.
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