input word = C00058972

Metabolite InformationStructural formula
Name D-Glucose, cyclic 4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]] 2-(3,4,5-trihydroxybenzoate)
Formula C41H26O26
Mw 934.07123101
CAS RN 103488-45-5
C_ID C00058972
InChIKey OTMPLEXRZOKAOW-UHFFFAOYSA-N
InChICode InChI=1S/C41H26O26/c42-5-15(64-37(58)7-1-10(43)24(48)11(44)2-7)27(51)34-14(47)6-63-38(59)8-3-12(45)25(49)28(52)16(8)18-22-20-21-23(41(62)67-35(20)32(56)30(18)54)19(31(55)33(57)36(21)66-40(22)61)17-9(39(60)65-34)4-13(46)26(50)29(17)53/h1-5,14-15,27,34,43-57H,6H2
SMILES O=CC(OC(=O)c1cc(O)c(O)c(O)c1)C(O)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c(cc(O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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