input word = C00054911

Metabolite InformationStructural formula
Name Balanitin 3
Formula C45H72O17
Mw 884.47695088
CAS RN 82358-27-8
C_ID C00054911
InChIKey FXOMQOAAJCQQCO-UHFFFAOYSA-N
InChICode InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(54)35(52)38(29(17-47)59-41)60-42-39(34(51)32(49)28(16-46)58-42)61-40-36(53)33(50)31(48)21(3)56-40/h6,19-21,23-42,46-54H,7-18H2,1-5H3
SMILES OC(C(OC1CO)OC2CC(C3(CC2)C)=CCC4C3CCC5(C4CC6C5C(C7(O6)OCC(CC7)C)C)C)C(O)C1OC(OC(CO)C8O)C(C8O)OC9OC(C)C(C(C9O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeBalanites aegyptiaca Ref.
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