input word = C00008123

Metabolite InformationStructural formula
Name Calyxin A
Formula C35H34O9
Mw 598.22028269
CAS RN 164991-52-0
C_ID C00008123 ,
InChIKey MPNYQBPECDEHJJ-IUBAJNKVNA-N
InChICode InChI=1S/C35H34O9/c1-43-32-21-31(40)33(35(41)34(32)30(39)19-10-24-7-16-28(38)17-8-24)25(11-2-22-3-12-26(36)13-4-22)20-29(44-42)18-9-23-5-14-27(37)15-6-23/h2-8,10-17,19,21,25,29,36-38,40-42H,9,18,20H2,1H3/b11-2+,19-10+/t25-,29+/m0/s1
SMILES c1(c(cc(c(c1O)C(=O)/C=C/c1ccc(cc1)O)OC)O)[C@@H](/C=C/c1ccc(cc1)O)C[C@@H](CCc1ccc(cc1)O)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
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