input word = C00045024

Metabolite InformationStructural formula
Name Polygalolide B
(-)-Polygalolide B
Formula C20H20O8
Mw 388.11581762
CAS RN 503615-97-2
C_ID C00045024 ,
InChIKey TUVALGATKQAMFP-JKLQYZBHNA-N
InChICode InChI=1S/C20H20O8/c1-24-12-6-10(7-13(25-2)16(12)22)5-11-15(21)14-8-19-3-4-26-17(11)20(19,28-14)9-27-18(19)23/h5-7,14,17,22H,3-4,8-9H2,1-2H3/b11-5-/t14-,17+,19-,20-/m1/s1
SMILES COc1cc(/C=C2/C(=O)[C@H]3CC45CCOC2[C@@]4(COC5=O)O3)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala fallax Ref.
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