input word = C00029711

Metabolite InformationStructural formula
Name Aquilegioside G
Formula C42H68O15
Mw 812.4558215
CAS RN 672940-72-6
C_ID C00029711 ,
InChIKey LWKMTLMSNFINNF-KADBKSKXNA-N
InChICode InChI=1S/C42H68O15/c1-19(21-13-26(47)40(6,18-45)57-21)28-20(46)14-39(5)25-8-7-24-37(2,3)27(9-10-41(24)17-42(25,41)12-11-38(28,39)4)55-36-34(32(51)30(49)23(16-44)54-36)56-35-33(52)31(50)29(48)22(15-43)53-35/h19,21-36,43-45,47-52H,7-18H2,1-6H3/t19-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,38-,39+,40+,41-,42+/m1/s1
SMILES C[C@@H]([C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H]1C[C@H](O)[C@](C)(CO)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAquilegia vulgaris L Ref.
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OrganismAquilegia vulgaris L
ReferenceNishida,Chem.Pharm.Bull.,51,(2003),683

Nishida,Chem.Pharm.Bull.,51,(2003),956