input word = C00029710

Metabolite InformationStructural formula
Name Aquilegioside F
Formula C43H70O16
Mw 842.46638619
CAS RN 640722-51-6
C_ID C00029710 ,
InChIKey KHFAHPBEWUVDKE-CXCUPBNZNA-N
InChICode InChI=1S/C43H70O16/c1-20-21(14-26(47)40(6,53)19-46)59-43(54-7)17-39(5)25-9-8-24-37(2,3)27(10-11-41(24)18-42(25,41)13-12-38(39,4)34(20)43)57-36-33(31(51)29(49)23(16-45)56-36)58-35-32(52)30(50)28(48)22(15-44)55-35/h20-25,27-36,44-46,48-53H,8-19H2,1-7H3/t20-,21+,22-,23-,24+,25+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36+,38-,39+,40+,41-,42+,43+/m1/s1
SMILES CO[C@]12C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]3(C)C1[C@H](C)[C@H](CC(=O)C(C)(O)CO)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAquilegia vulgaris L Ref.
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