input word = C00006294

Metabolite InformationStructural formula
Name Embinin
Formula C29H34O14
Mw 606.1948558
CAS RN 52589-13-6
C_ID C00006294 ,
InChIKey OXTGLFRGBDFBHI-PJZXUXJANA-N
InChICode InChI=1S/C29H34O14/c1-11-21(32)24(35)26(37)29(40-11)43-28-25(36)22(33)18(10-30)42-27(28)20-16(39-3)9-17-19(23(20)34)14(31)8-15(41-17)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-22,24-30,32-37H,10H2,1-3H3/t11-,18+,21-,22+,24-,25-,26-,27-,28+,29-/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)c(OC)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris japonica Ref.
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