input word = C00057604

Metabolite InformationStructural formula
Name Sambacin
Formula C26H36O12
Mw 540.22067662
CAS RN 85562-86-3
C_ID C00057604
InChIKey SIVWXOPASOMQQC-BHXQHSIESA-N
InChICode InChI=1S/C26H36O12/c1-4-13-15-6-20(29)34-9-16-12(3)18(5-14(16)11(2)7-27)36-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)37-26/h4,6,10-12,14,16,18-19,21-23,25-28,30-32H,5,7-9H2,1-3H3/b13-4+,15-6+
SMILES OCC1C(O)C(O)C(O)C(OC2C(/C(C(C(OC3C(C)C(C(C(C)CO)C3)CO4)=O)=CO2)=CC4=O)=C/C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum sambac Ref.
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