input word = C00057512

Metabolite InformationStructural formula
Name Mozambioside
Formula C26H36O10
Mw 508.23084737
CAS RN 70717-95-2
C_ID C00057512
InChIKey FNIBRRHOZLASGI-UHFFFAOYSA-N
InChICode InChI=1S/C26H36O10/c1-24-8-15(29)21-13(3-5-34-21)14(24)2-4-25-7-12(26(33,10-25)11-28)6-16(22(24)25)35-23-20(32)19(31)18(30)17(9-27)36-23/h3,5,12,14,16-20,22-23,27-28,30-33H,2,4,6-11H2,1H3
SMILES CC12CC(=O)c3occc3C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C12)C(O)(CO)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea pseudozanguebariae Ref.
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