input word = C00054909

Metabolite InformationStructural formula
Name Balanitin 1
Formula C51H82O21
Mw 1030.53485968
CAS RN 79975-21-6
C_ID C00054909
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 CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeBalanites aegyptiaca Ref.
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