input word = C00045085

Metabolite InformationStructural formula
Name Sterebin N
Formula C20H34O4
Mw 338.24570957
CAS RN 638198-87-5
C_ID C00045085 ,
InChIKey MHBIPUOMMSRZKQ-DTJRMKOCNA-N
InChICode InChI=1S/C20H34O4/c1-7-18(4,23)12-9-13-19(5)11-8-10-17(2,3)15(19)14(21)16(22)20(13,6)24/h7,9,12-16,21-24H,1,8,10-11H2,2-6H3/b12-9+/t13-,14-,15+,16+,18-,19+,20+/m1/s1
SMILES [C@@]1([C@H]([C@@H]([C@@H]2[C@]([C@H]1/C=C/[C@@](C)(C=C)O)(CCCC2(C)C)C)O)O)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia rebaudiana Ref.
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OrganismStevia rebaudiana
ReferenceMcGarvey,J.Nat.Prod.,66,(2003),1395