input word = C00047630

Metabolite InformationStructural formula
Name 1,11-bisepi-caniojane
Formula C20H24O5
Mw 344.16237388
CAS RN 571194-44-0
C_ID C00047630 ,
InChIKey AINNPETUGJFTND-GREMWSPZNA-N
InChICode InChI=1S/C20H24O5/c1-9(2)12-5-6-19-8-23-20(25-24-19)11(4)18(22)14-16(20)15(19)13(12)7-10(3)17(14)21/h7,11-13,15,18,22H,1,5-6,8H2,2-4H3/t11-,12+,13-,15+,18-,19+,20+/m0/s1
SMILES C=C(C)[C@H]1CC[C@]23CO[C@]4(OO2)C2=C(C(=O)C(C)=C[C@H]1[C@H]23)[C@@H](O)[C@@H]4C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeJatropha integerrima Ref.
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