input word = C00009241

Metabolite InformationStructural formula
Name Samarangenin B
Formula C44H32O22
Mw 912.13852271
CAS RN 147103-19-3
C_ID C00009241 ,
InChIKey OLBCNYLXXLYHAI-RXRKWDINNA-N
InChICode InChI=1S/C44H32O22/c45-15-7-19(47)30-27(8-15)62-41-17-9-26(54)36(58)37(59)40(17)63-28-6-14(5-25(53)35(28)57)43(60)64-29-10-16-18(46)11-20(48)31(39(16)65-38(29)12-1-21(49)33(55)22(50)2-12)32(30)42(41)66-44(61)13-3-23(51)34(56)24(52)4-13/h1-9,11,29,32,38,41-42,45-59H,10H2/t29-,32-,38-,41-,42-/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)OC(=O)c2cc(c(c(c2)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 samarangense
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

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