input word = C00006044

Metabolite InformationStructural formula
Name Myricetin 3-(4''-galloylrhamnoside)
Formula C28H24O16
Mw 616.10643472
CAS RN 85541-03-3
C_ID C00006044 ,
InChIKey SOXQRBCUPOQXQV-QULILMNNNA-N
InChICode InChI=1S/C28H24O16/c1-8-24(43-27(40)10-4-15(33)20(36)16(34)5-10)22(38)23(39)28(41-8)44-26-21(37)18-12(30)6-11(29)7-17(18)42-25(26)9-2-13(31)19(35)14(32)3-9/h2-8,22-24,28-36,38-39H,1H3/t8-,22+,23+,24+,28+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)OC(=O)c1cc(c(c(c1)O)O)O)C)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDesmanthus illinoensis Ref.
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