input word = C00038308

Metabolite InformationStructural formula
Name 6'-O-Sinapoyljasminoside C
(-)-6'-O-Sinapoyljasminoside C
Formula C27H34O11
Mw 534.21011193
CAS RN 1031738-88-1
C_ID C00038308 ,
InChIKey SLJXZSBKZITVLH-QQCONILRNA-N
InChICode InChI=1S/C27H34O11/c1-14-16(10-17(28)11-27(14,2)3)12-37-26-25(33)24(32)23(31)20(38-26)13-36-21(29)7-6-15-8-18(34-4)22(30)19(9-15)35-5/h6-10,20,23-26,30-33H,1,11-13H2,2-5H3/b7-6+/t20-,23+,24+,25-,26-/m1/s1
SMILES [C@H]1([C@H]([C@H]([C@H](O[C@H]1OCC1=CC(=O)CC(C1=C)(C)C)COC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)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