input word = C00006274

Metabolite InformationStructural formula
Name Isoscoparin 2''-O-rhamnoside
Formula C28H32O15
Mw 608.17412036
CAS RN 78570-70-4
C_ID C00006274 ,
InChIKey IFUKPUNEQISNJS-SSTVOJQBNA-N
InChICode InChI=1S/C28H32O15/c1-9-20(33)23(36)25(38)28(40-9)43-27-24(37)21(34)17(8-29)42-26(27)19-13(32)7-16-18(22(19)35)12(31)6-14(41-16)10-3-4-11(30)15(5-10)39-2/h3-7,9,17,20-21,23-30,32-38H,8H2,1-2H3/t9-,17-,20-,21+,23-,24-,25+,26-,27-,28-/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)c(O)cc3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene alba Ref.
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