input word = C00002915

Metabolite InformationStructural formula
Name Corilagin
Formula C27H22O18
Mw 634.0806139
CAS RN 23094-69-1
C_ID C00002915 ,
InChIKey TUSDEZXZIZRFGC-XMMARQRUNA-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/t13-,19+,22-,23+,27+/m1/s1
SMILES c1(cc2c(c(c1O)O)c1c(cc(c(c1O)O)O)C(=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)OC2=O)O)OC(=O)c1cc(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaePoupartia fordii Ref.
PlantaeAnacardiaceaeRhus semialata Ref.
PlantaeCombretaceaeAnogeissus latifolia Ref.
PlantaeCombretaceaeTerminalia chebula Ref.
PlantaeCunoniaceaeCunonia macrophylla Ref.
PlantaeEuphorbiaceaeAleurites cordata Ref.
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
PlantaeEuphorbiaceaeRicinus communis Ref.
PlantaeEuphorbiaceaeSapium japonicum Ref.
PlantaeEuphorbiaceaeSapium sebiferum Ref.
PlantaeGeraniaceaeGeranium thunbergii Ref.
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
PlantaeNymphaeaceaeNymphaea stellata Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaePhyllanthaceaePhyllanthus urinaria Ref.
PlantaeSapindaceaeAcer nikoense Ref.
PlantaeSapindaceaeAcer spp. Ref.
--Euphoria longana Ref.
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