input word = C00020007

Metabolite InformationStructural formula
Name Praeroside I
Formula C28H30O13
Mw 574.16864105
CAS RN 121064-73-1
C_ID C00020007 ,
InChIKey BWOIWJCVUMZWKV-QLTNXFGMNA-N
InChICode InChI=1S/C28H30O13/c1-28(2,18-10-14-8-12-5-7-19(30)40-24(12)23(34)25(14)39-18)41-27-22(33)21(32)20(31)17(38-27)11-37-26(35)13-4-6-15(29)16(9-13)36-3/h4-9,17-18,20-22,27,29,31-34H,10-11H2,1-3H3/t17-,18+,20-,21+,22-,27+/m1/s1
SMILES COc1cc(C(=O)OCC2O[C@@H](OC(C)(C)[C@@H]3Cc4cc5ccc(=O)oc5c(O)c4O3)C(O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePeucedanum praeruptorum Ref.
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