input word = C00037651

Metabolite InformationStructural formula
Name Pinnatifinoside D
(+)-Pinnatifinoside D
Formula C23H20O10
Mw 456.10564686
CAS RN 366473-20-3
C_ID C00037651 ,
InChIKey JPQIZNMBTLLOPM-URECBDTMNA-N
InChICode InChI=1S/C23H20O10/c1-10(24)30-9-18-20(28)22(29)23(33-18)8-13-17(32-23)7-15(27)19-14(26)6-16(31-21(13)19)11-2-4-12(25)5-3-11/h2-7,18,20,22,25,27-29H,8-9H2,1H3/t18-,20-,22-,23+/m1/s1
SMILES c12c(c(cc3c1C[C@]1(O3)O[C@@H]([C@H]([C@H]1O)O)COC(=O)C)O)c(=O)cc(o2)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCrataegus pinnatifida Bge.var.major N.E.Br. Ref.
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