input word = C00009240

Metabolite InformationStructural formula
Name Samarangenin A
Formula C37H28O18
Mw 760.12756409
CAS RN 147103-18-2
C_ID C00009240 ,
InChIKey JENRLNPKDHPCHO-FLCHIJTGNA-N
InChICode InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2/t24-,27-,31-,33-,35-/m1/s1
SMILES c12c(cc(c3c1O[C@@H]([C@@H](C3)OC(=O)c1cc(c(c(c1)Oc1c([C@@H]3[C@@H]([C@@H]2c2c(cc(cc2O3)O)O)O)cc(c(c1O)O)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeSyzygium aqueum Ref.
PlantaeMyrtaceaeSyzygium samarangense Ref.
zoom in



OrganismSyzygium aqueum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Nonaka,Chem.Pharm.Bull.,40,(1992),2671