input word = C00007897

Metabolite InformationStructural formula
Name Okanin 4'-(2'',4'',6''-triacetylglucoside)
Formula C27H28O14
Mw 576.14790561
CAS RN 115070-74-1
C_ID C00007897 ,
InChIKey DUPPPYFIJACNMA-GTQQRCEQNA-N
InChICode InChI=1S/C27H28O14/c1-12(28)37-11-21-25(38-13(2)29)24(36)26(39-14(3)30)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 CC(=O)OCC1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccc(O)c(O)c3)c(O)c2O)C(OC(C)=O)[C@@H](O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens pilosa Ref.
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