input word = C00033699

Metabolite InformationStructural formula
Name Caratuberside G
(+)-Caratuberside G
Formula C62H88O21
Mw 1168.58180988
CAS RN 1070419-09-8
C_ID C00033699 ,
InChIKey SXTZIDNXMZXWCP-UFMBOHNBNA-N
InChICode InChI=1S/C62H88O21/c1-31(76-56(68)35-16-12-10-13-17-35)39-23-25-62(70)40-21-20-37-26-38(22-24-60(37,5)41(40)27-45(61(39,62)6)80-57(69)36-18-14-11-15-19-36)78-46-28-42(71-7)52(32(2)74-46)81-47-29-43(72-8)53(33(3)75-47)82-59-51(67)55(73-9)54(34(4)77-59)83-58-50(66)49(65)48(64)44(30-63)79-58/h10-20,31-34,38-55,58-59,63-67,70H,21-30H2,1-9H3/t31-,32+,33+,34+,38-,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,58-,59-,60-,61-,62-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1[C@H](C)OC(=O)c1ccccc1)O)C)OC(=O)c1ccccc1)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCaralluma tuberculata Ref.
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