input word = C00050131

Metabolite InformationStructural formula
Name Jaspofoliamoside B
(-)-Jaspofoliamoside B
Formula C33H48O18
Mw 732.28406473
CAS RN 190073-46-2
C_ID C00050131 ,
InChIKey QZONCTRJBZYIBQ-QKDASWMLNA-N
InChICode InChI=1S/C33H48O18/c1-5-17-18(19(30(44)45-4)14-47-31(17)51-33-28(42)26(40)24(38)21(13-35)49-33)11-22(36)46-10-9-15(2)7-6-8-16(3)29(43)50-32-27(41)25(39)23(37)20(12-34)48-32/h5,8-9,14,18,20-21,23-28,31-35,37-42H,6-7,10-13H2,1-4H3/b15-9+,16-8+,17-5+/t18-,20+,21+,23+,24+,25-,26-,27+,28+,31-,32-,33-/m0/s1
SMILES C1=C([C@H](/C(=C\C)/[C@@H](O1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CC(=O)OC/C=C(/CC/C=C(/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)\C)\C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum polyanthum Ref.
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