input word = C00021961

Metabolite InformationStructural formula
Name Upial
Formula C15H20O3
Mw 248.1412445
CAS RN 72378-77-9
C_ID C00021961 ,
InChIKey NAOUIRAWBZMRCO-TUJRJQSRNA-N
InChICode InChI=1S/C15H20O3/c1-9-8-11-12-10(2)14(9,3)4-5-15(12,6-7-16)13(17)18-11/h7,9,11-12H,2,4-6,8H2,1,3H3/t9-,11-,12+,14+,15-/m1/s1
SMILES [C@@]12([C@@H](C[C@@H]3[C@H](C1=C)[C@](C(=O)O3)(CC=O)CC2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dysidea fragilis Ref.
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