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 [C@@H]12[C@]3(OC[C@@]4([C@H]([C@H]1O)[C@@]1(C(=CC4=O)C(=C[C@@]1(C(=O)OC)O)C)C)[C@H]3C(=O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeSamadera madagascariensis Ref.
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