input word = C00006066

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-sulfatogetiobioside)
Formula C27H30O19S
Mw 690.11019951
CAS RN 75759-58-9
C_ID C00006066 ,
InChIKey VTJKDBCZBBPNIM-MAUJFVQSNA-N
InChICode InChI=1S/C27H30O19S/c28-10-3-1-9(2-4-10)24-25(19(33)16-12(30)5-11(29)6-13(16)43-24)46-27-23(37)21(35)17(31)14(45-27)7-41-26-22(36)20(34)18(32)15(44-26)8-42-47(38,39)40/h1-6,14-15,17-18,20-23,26-32,34-37H,7-8H2,(H,38,39,40)/t14-,15-,17-,18-,20-,21-,22-,23+,26-,27+/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[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeAsplenium fontanum Ref.
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