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.
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