input word = C00037089

Metabolite InformationStructural formula
Name Eleganoside B
Formula C25H42O12
Mw 534.26762681
CAS RN 326793-99-1
C_ID C00037089 ,
InChIKey BJJIXMQSMBBRTG-FKNSVFJLNA-N
InChICode InChI=1S/C25H42O12/c1-4-5-6-7-8-9-10-34-16-11-25(32)14(21(30)33-3)13-35-23(20(25)24(16,2)31)37-22-19(29)18(28)17(27)15(12-26)36-22/h13,15-20,22-23,26-29,31-32H,4-12H2,1-3H3/t15-,16+,17-,18+,19-,20-,22+,23+,24+,25+/m1/s1
SMILES CCCCCCCCO[C@H]1C[C@]2(O)C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaePseudocalymma elegans Ref.
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OrganismPseudocalymma elegans
ReferenceAli,Phytochem.,55,(2000),359