input word = C00038861

Metabolite InformationStructural formula
Name Crassumolide B
(+)-Crassumolide B
Formula C20H28O3
Mw 316.20384476
CAS RN 1086338-87-5
C_ID C00038861 ,
InChIKey ZMVCRUREHOFWFQ-JXZOMXSUNA-N
InChICode InChI=1S/C20H28O3/c1-14-6-4-8-17(13-21)9-5-7-15(2)12-19-18(11-10-14)16(3)20(22)23-19/h6,9,12,18-19,21H,3-5,7-8,10-11,13H2,1-2H3/b14-6+,15-12+,17-9+/t18-,19+/m0/s1
SMILES C\1(=C\CC/C(=C/[C@@H]2[C@@H](CC/C(=C/CC1)/C)C(=C)C(=O)O2)/C)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum crassum Ref.
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