input word = C00021269

Metabolite InformationStructural formula
Name Plagiochilin B
Formula C21H28O8
Mw 408.17841787
CAS RN 70447-97-1
C_ID C00021269 ,
InChIKey JHVOFEZRFCOCHL-XLHZTWDZNA-N
InChICode InChI=1S/C21H28O8/c1-11(22)25-7-14-8-26-19(29-13(3)24)18-16(14)17-15(5-6-21(18)10-28-21)20(17,4)9-27-12(2)23/h8,15-19H,5-7,9-10H2,1-4H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
SMILES [C@@H]12[C@@H]([C@H](OC=C1COC(=O)C)OC(=O)C)[C@]1(CC[C@H]3[C@@H]2[C@]3(COC(=O)C)C)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlagiochilaceaePlagiochila hattoriana Ref.
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