input word = C00034532

Metabolite InformationStructural formula
Name Herbarumin I
(+)-Herbarum I
Formula C12H20O4
Mw 228.13615913
CAS RN 297174-24-4
C_ID C00034532 ,
InChIKey IZFXFVSOQMEZKB-OYYHARNONA-N
InChICode InChI=1S/C12H20O4/c1-2-6-10-12(15)9(13)7-4-3-5-8-11(14)16-10/h4,7,9-10,12-13,15H,2-3,5-6,8H2,1H3/b7-4+/t9-,10+,12-/m0/s1
SMILES CCC[C@H]1OC(=O)CCC/C=C/[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma herbarum Ref.
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OrganismPhoma herbarum
ReferenceMartinez-Luis,Phytochem.,68,(2007),1882