input word = C00030711

Metabolite InformationStructural formula
Name Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
6'-O-.beta.-D-Apiofuranosyldianthoside
Formula C17H24O12
Mw 420.12677623
CAS RN 168090-58-2
C_ID C00030711 ,
InChIKey OXNYNKGAOAFFBD-UHFFFAOYNA-N
InChICode InChI=1S/C17H24O12/c1-7-13(8(19)2-3-25-7)29-15-12(22)11(21)10(20)9(28-15)4-26-16-14(23)17(24,5-18)6-27-16/h2-3,9-12,14-16,18,20-24H,4-6H2,1H3/t9-,10-,11+,12+,14+,15+,16-,17-/m1/s1
SMILES Cc1occc(=O)c1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeElsholtzia rugulosa Hemsl. Ref.
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