input word = C00040070

Metabolite InformationStructural formula
Name Presinularolide B
Formula C20H28O4
Mw 332.19875938
CAS RN 1039742-05-6
C_ID C00040070 ,
InChIKey IAWHPIHHKZYGDC-KLDISTAKNA-N
InChICode InChI=1S/C20H28O4/c1-13-6-4-8-14(2)18(22)19-17(15(3)20(23)24-19)11-10-16(12-21)9-5-7-13/h7-8,10,17-19,21-22H,3-6,9,11-12H2,1-2H3/b13-7-,14-8+,16-10-/t17-,18-,19-/m1/s1
SMILES C\1(=C\CC/C(=C/C[C@H]2[C@H]([C@@H](/C(=C/CC1)/C)O)OC(=O)C2=C)/CO)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum crassum Ref.
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