input word = C00035741

Metabolite InformationStructural formula
Name Samaderolactone A
Formula C20H22O8
Mw 390.13146768
CAS RN 871795-39-0
C_ID C00035741 ,
InChIKey LHUSSIYFBNCANU-USWWLAHGNA-N
InChICode InChI=1S/C20H22O8/c1-8-6-20(25,16(24)26-4)17(2)9(8)5-10(21)19-7-27-18(3)13(19)15(23)28-14(18)11(22)12(17)19/h5-6,11-14,22,25H,7H2,1-4H3/t11-,12-,13+,14+,17+,18+,19-,20+/m1/s1
SMILES COC(=O)[C@@]1(O)C=C(C)C2=CC(=O)[C@@]34CO[C@@]5(C)C3C(=O)O[C@H]5[C@H](O)[C@@H]4[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeSamadera madagascariensis Ref.
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