input word = C00005579

Metabolite InformationStructural formula
Name Isorhamnetin 3-sophoroside-7-glucoside
Formula C34H42O22
Mw 802.21677303
CAS RN 17331-29-2
C_ID C00005579 ,
InChIKey GFXVHGLRIICEQY-XUQPBMSLNA-N
InChICode InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(23(43)19-13(39)5-11(6-15(19)51-29)50-32-27(47)24(44)20(40)16(7-35)52-32)55-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3/t16-,17-,18+,20-,21-,22-,24+,25+,26+,27+,28-,31-,32-,33+,34+/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[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeSinapis arvensis Ref.
PlantaeElaeagnaceaeElaeagnus montana Ref.
PlantaeElaeagnaceaeElaeagnus multiflora Ref.
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