input word = C00005587

Metabolite InformationStructural formula
Name Isorhamnetin 3-rhamnoside-7-sophoroside
Formula C34H42O21
Mw 786.22185841
CAS RN 123131-40-8
C_ID C00005587 ,
InChIKey UZWMBAJGHLQGAJ-QEICHIOXNA-N
InChICode InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(49-10)54-30-23(42)19-14(38)6-12(7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2)50-34-31(26(45)22(41)18(9-36)53-34)55-33-28(47)25(44)21(40)17(8-35)52-33/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21-,22-,24+,25-,26-,27-,28+,31+,32-,33-,34+/m0/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[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum album Ref.
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