input word = C00024169

Metabolite InformationStructural formula
Name Fragransin C3b
Formula C21H26O6
Mw 374.17293856
CAS RN 112503-91-0
C_ID C00024169 ,
InChIKey KBIHHHDCLJQNHG-WVLUGYPZNA-N
InChICode InChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3/t11-,12+,20-,21+/m0/s1
SMILES COc1cc([C@@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyristicaceaeMyristica fragrans HOUTT. Ref.
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