input word = C00050125

Metabolite InformationStructural formula
Name Jaslanceoside A
(-)-Jaslanceoside A
Formula C27H32O15
Mw 596.17412036
CAS RN 188300-81-4
C_ID C00050125 ,
InChIKey HWTKLHMQRXNNDR-WKMKFNRWNA-N
InChICode InChI=1S/C27H32O15/c1-37-18-9-13(3-5-17(18)29)4-6-20(30)39-8-7-14-15(10-21(31)38-2)16(25(35)36)12-40-26(14)42-27-24(34)23(33)22(32)19(11-28)41-27/h3-7,9,12,15,19,22-24,26-29,32-34H,8,10-11H2,1-2H3,(H,35,36)/b6-4+,14-7+/t15-,19+,22+,23-,24+,26-,27-/m0/s1
SMILES COC(=O)C[C@@H]1C(C(=O)O)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C1=C/COC(=O)/C=C/c1ccc(O)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum lanceolarium Ref.
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OrganismJasminum lanceolarium
ReferenceShen,J.Nat.Prod.,60,(1997),453