input word = C00058671

Metabolite InformationStructural formula
Name Picrasin B
Formula C21H28O6
Mw 376.18858863
CAS RN 26121-56-2
C_ID C00058671
InChIKey GESOKLRVLMVNMO-WCAPFRRUSA-N
InChICode InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11+,12+,13+,14-,18+,20-,21+/m1/s1
SMILES COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma ailanthoides Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
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