input word = C00014285

Metabolite InformationStructural formula
Name Calyxin C
2,3-Dihydro-7-hydroxy-8-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one
Formula C35H34O8
Mw 582.22536806
CAS RN 193816-82-9
C_ID C00014285 ,
InChIKey IVPRDSPYDXWXMB-YUWZQMLNNA-N
InChICode InChI=1S/C35H34O8/c1-42-32-20-29(40)33(35-34(32)30(41)19-31(43-35)23-10-17-27(39)18-11-23)28(22-8-15-26(38)16-9-22)4-2-3-24(36)12-5-21-6-13-25(37)14-7-21/h2,4,6-11,13-18,20,24,28,31,36-40H,3,5,12,19H2,1H3/b4-2+/t24-,28+,31-/m1/s1
SMILES c1(c(c2c(c(c1)OC)C(=O)C[C@@H](O2)c1ccc(cc1)O)[C@H](c1ccc(cc1)O)/C=C/C[C@@H](O)CCc1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
zoom in