input word = C00057846

Metabolite InformationStructural formula
Name Ssioriside
Formula C27H38O12
Mw 554.23632668
CAS RN 126882-53-9
C_ID C00057846
InChIKey UTPBCUCEDIRSFI-KHLXKNNCSA-N
InChICode InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1
SMILES COC1=CC(C[C@H](CO)[C@H](CC2=CC(OC)=C(O)C(OC)=C2)CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)=CC(OC)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus padus Ref.
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OrganismPrunus padus
ReferenceKoul, S.K. et al., Phytochemistry, 1984, 23, 2099-2101 (3,4-methylene tetra-Me ether)