input word = C00037650

Metabolite InformationStructural formula
Name Pinnatifinoside C
(-)-Pinnatifinoside C
Formula C23H20O10
Mw 456.10564686
CAS RN 366472-94-8
C_ID C00037650 ,
InChIKey JPQIZNMBTLLOPM-MBHLOHCPNA-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 CC(=O)OC[C@H]1O[C@]2(Cc3c(cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)O2)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCrataegus pinnatifida Bge.var.major N.E.Br. Ref.
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