input word = C00045233

Metabolite InformationStructural formula
Name Beesioside H
(+)-Beesioside H
Formula C42H70O15
Mw 814.47147157
CAS RN 405278-17-3
C_ID C00045233 ,
InChIKey CPPPESTUUSAHJH-DHFCBEKPNA-N
InChICode InChI=1S/C42H70O15/c1-36(2)23-7-8-24-38(5)15-20(45)33(39(6)11-9-26(57-39)37(3,4)52)42(38,19-44)14-13-41(24)18-40(23,41)12-10-25(36)56-35-32(51)30(49)28(47)22(55-35)17-53-34-31(50)29(48)27(46)21(16-43)54-34/h20-35,43-52H,7-19H2,1-6H3/t20-,21+,22+,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,35-,38-,39-,40+,41-,42-/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1CC[C@@]23[C@H](C1(C)C)CC[C@@H]1[C@]2(CC[C@]2([C@]1(C[C@@H]([C@@H]2[C@]1(O[C@H](CC1)C(O)(C)C)C)O)C)CO)C3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeBeesia calthifolia Ref.
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