input word = C00014578

Metabolite InformationStructural formula
Name Epicalyxin I
Formula C42H38O9
Mw 686.25158281
CAS RN 332877-80-2
C_ID C00014578 ,
InChIKey UJEBJUQQVRWYAG-DFSOCDNDNA-N
InChICode InChI=1S/C42H38O9/c1-49-36-23-35(48)37-33-22-32(20-6-24-2-12-28(43)13-3-24)50-40(26-8-16-30(45)17-9-26)38(33)41(27-10-18-31(46)19-11-27)51-42(37)39(36)34(47)21-7-25-4-14-29(44)15-5-25/h2-5,7-19,21,23,32-33,38,40-41,43-46,48H,6,20,22H2,1H3/b21-7+/t32-,33-,38-,40+,41+/m0/s1
SMILES COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@@H]1[C@@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
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OrganismAlpinia blepharocalyx
ReferenceTezuka, J.Nat.Prod.,64,(2001),208