input word = C00054910

Metabolite InformationStructural formula
Name Balanitin 2
Formula C50H80O21
Mw 1016.51920962
CAS RN 79975-20-5
C_ID C00054910
InChIKey QZSVZGSMQMMOAO-UHFFFAOYSA-N
InChICode InChI=1S/C50H80O21/c1-20-8-13-50(64-17-20)21(2)32-29(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-45-40(60)37(57)33(53)22(3)65-45)42(36(56)30(16-51)67-47)69-46-41(61)38(58)35(55)31(68-46)19-63-44-39(59)34(54)28(52)18-62-44/h6,20-22,24-47,51-61H,7-19H2,1-5H3
SMILES OC(C1O)C(OC(C(C(OC2CO)OC3CC(C4(CC3)C)=CCC5C4CCC6(C5CC7C6C(C8(O7)OCC(CC8)C)C)C)OC9C(O)C(O)C(O)C(C)O9)C2O)OC(COC%10OCC(O)C(O)C%10O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeBalanites aegyptiaca Ref.
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