input word = C00036502

Metabolite InformationStructural formula
Name Arjuna
2-O-Galloylpunicalin
Formula C41H26O26
Mw 934.07123101
CAS RN 210050-67-2
C_ID C00036502 ,
InChIKey JSUVCAQGWVUMPD-SHIAQHOYNA-N
InChICode InChI=1S/C41H26O26/c42-5-14(47)33(64-37(58)7-1-10(43)24(49)11(44)2-7)34-15(48)6-63-38(59)8-3-12(45)25(50)27(52)16(8)18-22-20-21-23(41(62)67-35(20)31(56)29(18)54)19(30(55)32(57)36(21)66-40(22)61)17-9(39(60)65-34)4-13(46)26(51)28(17)53/h1-5,14-15,33-34,43-57H,6H2/t14-,15+,33+,34+/m0/s1
SMILES c12c3c(c(c4c1c(=O)oc1c2c(c(=O)o3)c(c(c1O)O)c1c(c(c(cc1C(=O)OC[C@H]([C@@H](OC(=O)c1c4c(c(c(c1)O)O)O)[C@H](OC(=O)c1cc(c(c(c1)O)O)O)[C@@H](O)C=O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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