input word = C00050132

Metabolite InformationStructural formula
Name Jaspolinaloside
Formula C27H40O12
Mw 556.25197674
CAS RN 190073-50-8
C_ID C00050132 ,
InChIKey YSTMCUNFGFHGAC-XYWFZFDBNA-N
InChICode InChI=1S/C27H40O12/c1-6-16-17(11-20(29)36-13-15(3)9-8-10-27(4,34)7-2)18(24(33)35-5)14-37-25(16)39-26-23(32)22(31)21(30)19(12-28)38-26/h6-7,9,14,17,19,21-23,25-26,28,30-32,34H,2,8,10-13H2,1,3-5H3/b15-9+,16-6+/t17-,19+,21-,22-,23+,25-,26-,27+/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C([C@H](/C/1=C\C)CC(=O)OC/C(=C/CC[C@@](C=C)(O)C)/C)C(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum polyanthum Ref.
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