input word = C00053416

Metabolite InformationStructural formula
Name Lagerstannin C
Formula C27H22O19
Mw 650.07552853
CAS RN 147666-66-8
C_ID C00053416
InChIKey HUVLESMCLUQMJM-UHFFFAOYSA-N
InChICode InChI=1S/C27H22O19/c28-9-1-6(2-10(29)16(9)32)25(41)45-13-5-44-26(42)7-3-11(30)17(33)19(35)14(7)15-8(4-12(31)18(34)20(15)36)27(43)46-23(13)21(37)22(38)24(39)40/h1-4,13,21-23,28-38H,5H2,(H,39,40)
SMILES O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C(O)C(O)C(=O)O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLagerstroemia indica Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeLythraceaePunica granatum L. Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
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