input word = C00021044

Metabolite InformationStructural formula
Name Apachin
Formula C17H24O5
Mw 308.16237388
CAS RN 33204-41-0
C_ID C00021044 ,
InChIKey GYJRBAUIBSHSTN-VUUWLIHONA-N
InChICode InChI=1S/C17H24O5/c1-9-5-6-13-11(3)17(20)22-16(13)8-14(9)15(7-10(2)18)21-12(4)19/h8-10,13,15-16,18H,3,5-7H2,1-2,4H3/t9-,10-,13-,15-,16+/m0/s1
SMILES C=C1C(=O)O[C@H]2C=C([C@H](C[C@H](C)O)OC(C)=O)[C@@H](C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva ambrosiaefolia Ref.
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