input word = C00012417

Metabolite InformationStructural formula
Name Poskeanolide
Formula C25H32O12
Mw 524.18937649
CAS RN 104017-79-0
C_ID C00012417 ,
InChIKey YHSOUNOGWMIWPB-XIVMMRJANA-N
InChICode InChI=1S/C25H32O12/c1-13(11-34-16(4)27)8-21(29)36-19(9-14(2)15(3)26)22-18(12-35-17(5)28)23(30)37-20(22)10-25(6,32)24(31)33-7/h8,10,14,19,32H,9,11-12H2,1-7H3/b13-8-,20-10+/t14-,19-,25-/m0/s1
SMILES C1(=C(/C(=C/[C@](C)(O)C(=O)OC)/OC1=O)[C@H](C[C@H](C)C(=O)C)OC(=O)/C=C(\COC(=O)C)/C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia poskeana Ref.
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