input word = C00006005

Metabolite InformationStructural formula
Name Isorhamnetin 3-(6''-acetylglucoside)
Formula C24H24O13
Mw 520.12169086
CAS RN 64317-85-7
C_ID C00006005 ,
InChIKey DSLVJFBJCIYHLK-NTJWMFDZNA-N
InChICode InChI=1S/C24H24O13/c1-9(25)34-8-16-18(29)20(31)21(32)24(36-16)37-23-19(30)17-13(28)6-11(26)7-15(17)35-22(23)10-3-4-12(27)14(5-10)33-2/h3-7,16,18,20-21,24,26-29,31-32H,8H2,1-2H3/t16-,18-,20+,21-,24+/m1/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
PlantaePinaceaePinus contorta Ref.
PlantaePinaceaePinus sylvestris Ref.
PlantaeSalicaceaeSalix viminalis Ref.
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