input word = C00019852

Metabolite InformationStructural formula
Name Edgeworoside B
Formula C32H22O13
Mw 614.10604079
CAS RN 126221-39-4
C_ID C00019852 ,
InChIKey RWKYICRZKBNXQX-IIVJCVNUNA-N
InChICode InChI=1S/C32H22O13/c33-13-32(39)14-40-31(29(32)37)43-20-8-3-16-5-10-24(36)44-27(16)26(20)25-19(34)7-2-17-11-22(30(38)45-28(17)25)41-18-6-1-15-4-9-23(35)42-21(15)12-18/h1-12,29,31,33-34,37,39H,13-14H2/t29-,31+,32-/m1/s1
SMILES O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(O[C@@H]6OCC(O)(CO)[C@@H]6O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeEdgeworthia chrysantha Ref.
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OrganismEdgeworthia chrysantha
ReferenceBaba,Phytochem.,28,(1989),221