input word = C00031414

Metabolite InformationStructural formula
Name Tibeticanol
Formula C28H22O8
Mw 486.13146768
CAS RN 870150-60-0
C_ID C00031414 ,
InChIKey LRKNRUGVNBJHFV-AGYHSSTASA-N
InChICode InChI=1S/C28H22O8/c29-19-7-16(8-20(30)12-19)2-4-17-11-25(34)26(35)14-22(17)28-18(10-21(31)13-27(28)36)5-1-15-3-6-23(32)24(33)9-15/h1-14,29-36H/b4-2+,5-1+
SMILES Oc1cc(O)cc(/C=C/c2cc(O)c(O)cc2-c2c(O)cc(O)cc2/C=C/c2ccc(O)c(O)c2)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaragana tibetica KOM. Ref.
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