input word = C00013926

Metabolite InformationStructural formula
Name Isorhamnetin 3-(4''-sulfatorutinoside)
Quercetin 3'-methyl ether 3-(4''-sulfatorutinoside)
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-sulfo-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C28H32O19S
Mw 704.12584957
CAS RN 183552-43-4
C_ID C00013926 ,
InChIKey KTPSFBUPROOXCG-FBXYSXTANA-N
InChICode InChI=1S/C28H32O19S/c1-9-18(32)20(34)22(36)27(43-9)42-8-16-25(47-48(38,39)40)21(35)23(37)28(45-16)46-26-19(33)17-13(31)6-11(29)7-15(17)44-24(26)10-3-4-12(30)14(5-10)41-2/h3-7,9,16,18,20-23,25,27-32,34-37H,8H2,1-2H3,(H,38,39,40)/t9-,16+,18-,20+,21+,22-,23+,25-,27+,28-/m0/s1
SMILES c1c(cc(c(c1)O)OC)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)OS(=O)(=O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum dumosum Ref.
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