input word = C00013613

Metabolite InformationStructural formula
Name Pinnatifinoside A
(2R,3S,4S,5R)-4,5-Dihydro-3,4,5'-trihydroxy-5-(hydroxymethyl)-2'-(4-hydroxyphenyl)-spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one
Formula C21H18O9
Mw 414.09508217
CAS RN 366472-57-3
C_ID C00013613 ,
InChIKey FOVMHAAPEQFGFL-YNGVOFSONA-N
InChICode InChI=1S/C21H18O9/c22-7-15-18(26)20(27)21(30-15)8-28-14-6-12(25)16-11(24)5-13(29-19(16)17(14)21)9-1-3-10(23)4-2-9/h1-6,15,18,20,22-23,25-27H,7-8H2/t15-,18-,20+,21-/m0/s1
SMILES c12cc(c3c(c1[C@]1(CO2)O[C@H]([C@@H]([C@H]1O)O)CO)oc(cc3=O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCrataegus pinnatifida Ref.
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