input word = C00050892

Metabolite InformationStructural formula
Name Isocorilagin
Formula C27H22O18
Mw 634.0806139
CAS RN 302780-06-9
C_ID C00050892
InChIKey TUSDEZXZIZRFGC-UHFFFAOYNA-N
InChICode InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2
SMILES O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC(C2O)C1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeLythraceaePunica granatum Ref.
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OrganismPelargonium reniforme
ReferenceLatte, et al., Phytochemistry, 54, (2000), 701