input word = C00005544

Metabolite InformationStructural formula
Name Isorhamnetin 3-sophoroside
Formula C28H32O17
Mw 640.1639496
CAS RN 74137-43-2
C_ID C00005544 ,
InChIKey JWCIGPTUZBZFDW-GOKDHGMINA-N
InChICode InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-25(20(36)17-12(33)5-10(31)6-14(17)41-24)44-28-26(22(38)19(35)16(8-30)43-28)45-27-23(39)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,26-35,37-39H,7-8H2,1H3/t15-,16+,18-,19-,21+,22+,23-,26?,27+,28+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeagnaceaeElaeagnus montana Ref.
PlantaeElaeagnaceaeHippophae rhamnoides Ref.
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