input word = C00037699

Metabolite InformationStructural formula
Name Punicalin
Formula C34H22O22
Mw 782.06027239
CAS RN 65995-64-4
C_ID C00037699 ,
InChIKey GXGFDWGVOITBNW-UHFFFAOYNA-N
InChICode InChI=1S/C34H22O22/c35-3-9(38)21(42)28-10(39)4-53-31(49)5-1-7(36)19(40)22(43)11(5)13-17-15-16-18(34(52)56-29(15)26(47)24(13)45)14(25(46)27(48)30(16)55-33(17)51)12-6(32(50)54-28)2-8(37)20(41)23(12)44/h1-3,9-10,21,28,36-48H,4H2/t9-,10-,21+,28+/m0/s1
SMILES c12c3c4c(c(=O)o1)c1c(c(c4oc(=O)c3c(c(c2O)O)c2c(c(c(cc2C(=O)OC[C@@H]([C@@H](OC(=O)c2c1c(c(c(c2)O)O)O)[C@H](O)[C@H](C=O)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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OrganismPunica granatum
ReferenceEl-Toumy,Phytochem.,61,(2002),971