input word = C00055175

Metabolite InformationStructural formula
Name 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol
Formula C21H28O6
Mw 376.18858863
CAS RN 112494-41-4
C_ID C00055175
InChIKey OELMAFBLFOKZJD-IRXDYDNUSA-N
InChICode InChI=1S/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3/t16-,17-/m0/s1
SMILES COc1cc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeCurcuma xanthorrhiza Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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OrganismCurcuma xanthorrhiza
ReferenceRoughley, P.J. et al., JCS Perkin 1, 1973, 2379-2388 (Tetrahydrocurcumin, synth, pmr)