input word = C00007898

Metabolite InformationStructural formula
Name Okanin 4'-(3'',4'',6''-triacetylglucoside)
Formula C27H28O14
Mw 576.14790561
CAS RN 135618-14-3
C_ID C00007898 ,
InChIKey CKEPCIVNAQZGCM-OEXXSESLNA-N
InChICode InChI=1S/C27H28O14/c1-12(28)37-11-21-25(38-13(2)29)26(39-14(3)30)24(36)27(41-21)40-20-9-6-16(22(34)23(20)35)17(31)7-4-15-5-8-18(32)19(33)10-15/h4-10,21,24-27,32-36H,11H2,1-3H3/b7-4+/t21-,24-,25-,26-,27-/m1/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1cc(c(cc1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio pseudotites Ref.
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