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 C1=C([C@H](/C(=C\COC(=O)/C=C/c2ccc(c(c2)OC)O)/[C@@H](O1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CC(=O)OC)C(=O)O
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