input word = C00048815

Metabolite InformationStructural formula
Name Phomolide B
Formula C12H18O4
Mw 226.12050906
CAS RN 1039029-23-6
C_ID C00048815 ,
InChIKey VHLQBMDWATUSGI-KMRGATGPNA-N
InChICode InChI=1S/C12H18O4/c1-2-3-9-7-11-10(16-11)5-4-8(13)6-12(14)15-9/h4-5,8-11,13H,2-3,6-7H2,1H3/b5-4+/t8-,9+,10-,11+/m1/s1
SMILES [C@@H]12[C@@H](/C=C/[C@H](CC(=O)O[C@H](C1)CCC)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis sp. hzla01-1 Ref.
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