input word = C00012144

Metabolite InformationStructural formula
Name Chrestanolide
Formula C24H30O9
Mw 462.18898256
CAS RN 78835-07-1
C_ID C00012144 ,
InChIKey YJALUVZAAUZICK-NXWFGHKDNA-N
InChICode InChI=1S/C24H30O9/c1-7-13(2)21(27)31-20-11-24(32-16(5)26)14(3)10-19-17(8-9-23(20,6)33-24)18(22(28)30-19)12-29-15(4)25/h7,10,19-20H,8-9,11-12H2,1-6H3/b13-7+,14-10+/t19-,20-,23-,24+/m1/s1
SMILES C1[C@]2(/C(=C\[C@@H]3C(=C(C(=O)O3)COC(=O)C)CC[C@@]([C@@H]1OC(=O)/C(=C/C)/C)(C)O2)/C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChresta sphaerocephala Ref.
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