input word = C00045136

Metabolite InformationStructural formula
Name Vismione B
Formula C21H22O5
Mw 354.14672381
CAS RN 70322-87-1
C_ID C00045136 ,
InChIKey RUKXXSDGTORZFO-UHFFFAOYNA-N
InChICode InChI=1S/C21H22O5/c1-20(2)6-5-13-15(25-4)8-11-7-12-9-21(3,24)10-14(22)16(12)18(23)17(11)19(13)26-20/h5-8,23-24H,9-10H2,1-4H3/t21-/m1/s1
SMILES C1[C@](Cc2c(C1=O)c(c1c(c2)cc(c2c1OC(C=C2)(C)C)OC)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeCratoxylum sumatranum Ref.
PlantaeHypericaceaeVismia baccifera Ref.
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