input word = C00014288

Metabolite InformationStructural formula
Name Calyxin J
Formula C42H38O9
Mw 686.25158281
CAS RN 332877-81-3
C_ID C00014288 ,
InChIKey VIDHFKRYBXNWLN-RZMDINKNNA-N
InChICode InChI=1S/C42H38O9/c1-48-35-22-36-37(42-39(35)33(47)21-34(50-42)24-5-13-28(44)14-6-24)32-20-31(19-4-23-2-11-27(43)12-3-23)49-40(25-7-15-29(45)16-8-25)38(32)41(51-36)26-9-17-30(46)18-10-26/h2-3,5-18,22,31-32,34,38,40-41,43-46H,4,19-21H2,1H3/t31-,32-,34-,38+,40-,41+/m1/s1
SMILES COc1cc2c(c3c1C(=O)CC(c1ccc(O)cc1)O3)C1C[C@H](CCc3ccc(O)cc3)O[C@H](c3ccc(O)cc3)C1[C@H](c1ccc(O)cc1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
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OrganismAlpinia blepharocalyx
ReferenceKadota,Curr.Top.Med.Chem.,3,(2003),203