input word = C00035064

Metabolite InformationStructural formula
Name Caryocaroside II-23
(+)-Caryocaroside II-23
Formula C54H86O24
Mw 1118.55090368
CAS RN 914257-94-6
C_ID C00035064 ,
InChIKey RFFCLTOTEGQQMV-UZIXUTGENA-N
InChICode InChI=1S/C54H86O24/c1-22-30(58)33(61)35(63)44(71-22)75-40-32(60)26(20-56)73-46(38(40)66)76-41-37(65)42(43(68)69)77-47(39(41)67)74-29-11-12-50(4)27(51(29,5)21-57)10-13-53(7)28(50)9-8-23-24-18-49(2,3)14-16-54(24,17-15-52(23,53)6)48(70)78-45-36(64)34(62)31(59)25(19-55)72-45/h8,22,24-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39+,40-,41-,42-,44-,45-,46-,47+,50-,51-,52+,53+,54+/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)CO)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryocaraceaeCaryocar villosum Ref.
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