input word = C00005662

Metabolite InformationStructural formula
Name Eupatolitin 3-apioside
Formula C22H22O12
Mw 478.11112617
CAS RN 106923-74-4
C_ID C00005662 ,
InChIKey OEAMGGHFQBSAKZ-BMZOXNEXNA-N
InChICode InChI=1S/C22H22O12/c1-30-13-6-12-14(15(26)18(13)31-2)16(27)19(34-21-20(28)22(29,7-23)8-32-21)17(33-12)9-3-4-10(24)11(25)5-9/h3-6,20-21,23-26,28-29H,7-8H2,1-2H3/t20-,21+,22-/m1/s1
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OCC(O)(CO)[C@@H]3O)c(=O)c2c(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina calophylla Ref.
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