input word = C00053986

Metabolite InformationStructural formula
Name Capsoside B
Formula C18H34O11
Mw 426.21011193
CAS RN 340682-68-0
C_ID C00053986
InChIKey CZLBBFWEMIWQQB-NNUBVHJDSA-N
InChICode InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
SMILES O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OCCCC(C)C)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. acuminatum Ref.
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