input word = C00064070

Metabolite InformationStructural formula
Name Arundinoside A
Formula C50H82O24
Mw 1066.51960355
CAS RN 188554-69-0
C_ID C00064070
InChIKey JHKWJPPSCBFIID-VMJCQDMLSA-N
InChICode InChI=1S/C50H82O24/c1-18-7-10-50(66-16-18)19(2)30-26(74-50)12-23-21-6-5-20-11-24(54)32(57)43(49(20,4)22(21)8-9-48(23,30)3)73-47-39(64)42(35(60)29(15-53)69-47)72-46-38(63)41(34(59)28(14-52)68-46)71-45-37(62)40(33(58)27(13-51)67-45)70-44-36(61)31(56)25(55)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+,46+,47+,48+,49+,50-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C7O)C6O)C5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum arundinaceum Ref.
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