input word = C00064160

Metabolite InformationStructural formula
Name Meteloside E
Formula C56H92O26
Mw 1180.58768311
CAS RN 2097624-80-9
C_ID C00064160
InChIKey QMCNHRRDHWLYDL-LNGZJLHOSA-N
InChICode InChI=1S/C56H92O26/c1-21(19-72-49-43(68)40(65)38(63)32(17-57)77-49)9-14-56(71)22(2)34-31(82-56)16-29-27-8-7-25-15-26(10-12-54(25,5)28(27)11-13-55(29,34)6)76-53-48(81-51-44(69)39(64)35(60)23(3)74-51)45(70)46(33(18-58)78-53)79-52-47(41(66)36(61)24(4)75-52)80-50-42(67)37(62)30(59)20-73-50/h7,21-24,26-53,57-71H,8-20H2,1-6H3/t21-,22+,23+,24+,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+,51+,52+,53-,54+,55+,56-/m1/s1
SMILES CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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