input word = C00022554

Metabolite InformationStructural formula
Name 7beta-Acetoxy-8(17)-dehydroisochiliolide lactone
Formula C22H24O7
Mw 400.15220312
CAS RN 132215-17-9
C_ID C00022554 ,
InChIKey ZMXYPQXDEWMCIE-KKMBSRCNNA-N
InChICode InChI=1S/C22H24O7/c1-12-15(27-13(2)23)9-20(4)19(3)6-7-22(20,29-17(19)24)21(12)10-16(28-18(21)25)14-5-8-26-11-14/h5,8,11,15-16H,1,6-7,9-10H2,2-4H3/t15-,16+,19-,20+,21-,22-/m0/s1
SMILES [C@@]123[C@](C[C@@H](C(=C)[C@@]41C[C@H](c1ccoc1)OC4=O)OC(=O)C)([C@@](CC2)(C(=O)O3)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMicroglossa pyrrhopappa Ref.
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