input word = C00019776

Metabolite InformationStructural formula
Name Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Formula C20H24O13
Mw 472.12169086
CAS RN 163017-13-8
C_ID C00019776 ,
InChIKey JMOPDMCEDXPCRG-KSDZPCAVNA-N
InChICode InChI=1S/C20H24O13/c21-6-20(28)7-30-19(17(20)27)29-5-12-14(24)15(25)16(26)18(33-12)32-11-3-8-1-2-13(23)31-10(8)4-9(11)22/h1-4,12,14-19,21-22,24-28H,5-7H2/t12-,14-,15+,16-,17-,18-,19-,20+/m1/s1
SMILES O=c1ccc2cc(O[C@@H]3OC(CO[C@@H]4OCC(O)(CO)[C@@H]4O)[C@@H](O)[C@H](O)C3O)c(O)cc2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera gracilipes var. glandulosa Ref.
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