input word = C00053270

Metabolite InformationStructural formula
Name Granatin B
Formula C41H28O27
Mw 952.0817957
CAS RN 77322-54-4
C_ID C00053270
InChIKey FFNTWLBZRJZJEJ-ZGTATTRASA-N
InChICode InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-37(57)11-5-17(46)27(51)31-22(11)23-12(38(58)66-33)6-19(47)40(59,60)41(23,61)68-31)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39?,41?/m0/s1
SMILES O=C1OC2C(OC(=O)c3cc(O)c(O)c(O)c3)OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)C(O)(O)C2(O)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeLythraceaePunica granatum L. Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
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