input word = C00005563

Metabolite InformationStructural formula
Name Isorhamnetin 7-sophoroside
Formula C28H32O17
Mw 640.1639496
CAS RN 123131-39-5
C_ID C00005563 ,
InChIKey ONLNVSCPXDNJOF-HNWCOWRXNA-N
InChICode InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-23(38)20(35)17-12(32)5-10(6-14(17)42-25)41-28-26(22(37)19(34)16(8-30)44-28)45-27-24(39)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-22,24,26-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,24-,26-,27+,28-/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum album Ref.
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