input word = C00021094

Metabolite InformationStructural formula
Name 4-Acetoxyrudmollin
Formula C17H24O5
Mw 308.16237388
CAS RN 76467-16-8
C_ID C00021094 ,
InChIKey ACNXNUFAMRWFQW-HPIHIBJZNA-N
InChICode InChI=1S/C17H24O5/c1-9-6-14-12(10(2)16(20)22-14)7-17(8-18)13(9)4-5-15(17)21-11(3)19/h9,12-15,18H,2,4-8H2,1,3H3/t9-,12+,13-,14+,15-,17+/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC[C@H](OC(C)=O)[C@@]3(CO)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRudbeckia mollis Ref.
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