input word = C00013207

Metabolite InformationStructural formula
Name Tubipolide E
[4aR-(4aalpha,9abeta,10abeta)]-4a,9a,10,10a-Tetrahydro-10a-hydroxy-3,5,9a-trimethylfuro[2,3-h][3]benzoxepin-2(4H)-one
Formula C15H18O4
Mw 262.12050906
CAS RN 97941-57-6
C_ID C00013207 ,
InChIKey SZJXRAIUCVONEM-MTQCWIFSNA-N
InChICode InChI=1S/C15H18O4/c1-9-7-18-5-4-14(3)8-15(17)12(6-11(9)14)10(2)13(16)19-15/h4-5,7,11,17H,6,8H2,1-3H3/t11-,14-,15-/m0/s1
SMILES [C@H]12[C@](C[C@]3(C(=C(C(=O)O3)C)C1)O)(C=COC=C2C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaTubiporidaeTubipora musica Ref.
PlantaeApiaceaeSmyrnium cordifolium Ref.
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