input word = C00014572

Metabolite InformationStructural formula
Name 3-epi-Calyxin B
Epicalyxin B
Formula C35H34O8
Mw 582.22536806
CAS RN 164991-54-2
C_ID C00014572 ,
InChIKey DHYXVFFHVYUZJU-QGPVVMCPNA-N
InChICode InChI=1S/C35H34O8/c1-43-32-21-31(41)33(35(42)34(32)30(40)20-10-23-8-16-27(38)17-9-23)29(24-11-18-28(39)19-12-24)4-2-3-25(36)13-5-22-6-14-26(37)15-7-22/h2,4,6-12,14-21,25,29,36-39,41-42H,3,5,13H2,1H3/b4-2+,20-10+/t25-,29-/m1/s1
SMILES c1c(ccc(c1)/C=C/C(=O)c1c(c(c(cc1OC)O)[C@@H](c1ccc(cc1)O)/C=C/C[C@@H](O)CCc1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
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OrganismAlpinia blepharocalyx
ReferencePrasain,Tetrahedron,53,(1997),7833