input word = C00021066

Metabolite InformationStructural formula
Name Pulchellin diacetate
Diacetylpulchellin
Formula C19H26O6
Mw 350.17293856
CAS RN 23754-36-1
C_ID C00021066 ,
InChIKey MKEUEUUTTBUCBV-ONYQIVNUNA-N
InChICode InChI=1S/C19H26O6/c1-9-6-14-13(10(2)18(22)25-14)8-19(5)16(24-12(4)21)7-15(17(9)19)23-11(3)20/h9,13-17H,2,6-8H2,1,3-5H3/t9-,13-,14+,15+,16-,17-,19-/m1/s1
SMILES [C@@H]12[C@](C[C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)([C@@H](C[C@@H]2OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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