input word = C00045082

Metabolite InformationStructural formula
Name Sterebin K
(+)-Sterebin K
Formula C21H36O4
Mw 352.26135964
CAS RN 638198-84-2
C_ID C00045082 ,
InChIKey KOMLQPBMYPUDGX-ZQGGEZTNNA-N
InChICode InChI=1S/C21H36O4/c1-14(10-13-25-6)8-9-15-20(4)12-7-11-19(2,3)17(20)16(22)18(23)21(15,5)24/h8-10,15-18,22-24H,7,11-13H2,1-6H3/b9-8+,14-10+/t15-,16-,17+,18+,20-,21+/m1/s1
SMILES COC/C=C(C)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C
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