input word = C00048668

Metabolite InformationStructural formula
Name Crassumolide C
Formula C21H28O4
Mw 344.19875938
CAS RN 81027-47-6
C_ID C00048668 ,
InChIKey APOQWKMQOYCBGK-PKVICRNSNA-N
InChICode InChI=1S/C21H28O4/c1-14-7-5-9-17(21(23)24-4)10-6-8-15(2)13-19-18(12-11-14)16(3)20(22)25-19/h7,10,13,18-19H,3,5-6,8-9,11-12H2,1-2,4H3/b14-7+,15-13+,17-10+/t18-,19-/m1/s1
SMILES C=C1C(=O)OC2/C=C(C)CC/C=C(/C(=O)OC)CC/C=C(C)CCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum crassum Ref.
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