input word = C00055420

Metabolite InformationStructural formula
Name Balagyptin
Formula C39H64O16
Mw 788.419436
CAS RN 172046-43-4
C_ID C00055420
InChIKey DHEBGTQGALZORI-UHFFFAOYSA-N
InChICode InChI=1S/C39H64O16/c1-15(40)25-23(41)13-22-20-7-6-18-12-19(8-10-38(18,4)21(20)9-11-39(22,25)5)53-37-34(55-36-33(49)30(46)27(43)17(3)52-36)31(47)28(44)24(54-37)14-50-35-32(48)29(45)26(42)16(2)51-35/h6,15-17,19-37,40-49H,7-14H2,1-5H3
SMILES OC(C)C1C(O)CC2C3C(C(CCC(OC4C(OC5C(O)C(O)C(O)C(C)O5)C(O)C(O)C(COC6OC(C)C(O)C(O)C6O)O4)C7)(C)C7=CC3)CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeBalanites aegyptiaca Ref.
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