input word = C00053721

Metabolite InformationStructural formula
Name Punicacortein B
Formula C27H22O18
Mw 634.0806139
CAS RN 103488-36-4
C_ID C00053721
InChIKey JYPJJOONMBTTAR-UHFFFAOYSA-N
InChICode InChI=1S/C27H22O18/c28-7-1-5(2-8(29)15(7)32)25(40)43-4-10(31)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(30)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2
SMILES O=C(OCC(O)C(O)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.