input word = C00012092

Metabolite InformationStructural formula
Name Lychnophorolide A
Centratherin
Formula C20H22O7
Mw 374.13655306
CAS RN 71939-83-8
C_ID C00012092 ,
InChIKey BMVJFNLJSZHNNS-MNWQTFIINA-N
InChICode InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6+/t14-,15-,17-,20?/m0/s1
SMILES [C@]12(C[C@@H]([C@@H]3[C@H](/C=C(/C(=CC1=O)O2)\CO)OC(=O)C3=C)OC(=O)/C(=C\C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentratherum punctatum Ref.
PlantaeAsteraceaeLychnophora affinis Ref.
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