input word = C00037759

Metabolite InformationStructural formula
Name Safghanoside B
(-)-Safghanoside B
Formula C32H40O17
Mw 696.22654986
CAS RN 482648-12-4
C_ID C00037759 ,
InChIKey QJACRUXIMMCUBU-VCORDPLINA-N
InChICode InChI=1S/C32H40O17/c1-3-16-17(18(29(42)43-2)13-45-30(16)49-32-28(41)25(38)23(36)19(12-33)46-32)11-22(35)44-14-20-24(37)26(39)27(40)31(47-20)48-21(34)10-9-15-7-5-4-6-8-15/h3-10,13,17,19-20,23-28,30-33,36-41H,11-12,14H2,1-2H3/b10-9-,16-3+/t17-,19+,20+,23+,24+,25-,26-,27+,28+,30-,31-,32-/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@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)/C=C\c1ccccc1)O)O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa afghanica Ref.
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OrganismSyringa afghanica
ReferenceTakenaka,Phytochem.,59,(2002),779