input word = C00039488

Metabolite InformationStructural formula
Name Jasminoside I
(-)-Jasminoside I
Formula C22H36O12
Mw 492.22067662
CAS RN 1033721-38-8
C_ID C00039488 ,
InChIKey UQULOIOFRKDAGP-LYPGMCRMNA-N
InChICode InChI=1S/C22H36O12/c1-9-10(24)4-5-22(2,3)20(9)31-7-12-15(26)17(28)16(27)13(33-12)8-32-21-19(30)18(29)14(25)11(6-23)34-21/h11-19,21,23,25-30H,4-8H2,1-3H3/t11-,12+,13-,14-,15+,16-,17-,18+,19-,21-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)COC1=C(C(=O)CCC1(C)C)C)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia jasminoides Ref.
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OrganismGardenia jasminoides
ReferenceChen,J.Nat.Prod.,71,(2008),995