input word = C00036835

Metabolite InformationStructural formula
Name Bourneioside B
(+)-Bourneioside B
Formula C48H78O19
Mw 958.51373031
CAS RN 308358-92-1
C_ID C00036835 ,
InChIKey PIBYCTCUYUVYMR-YRZZSZJNNA-N
InChICode InChI=1S/C48H78O19/c1-21(2)22-9-14-48(43(61)67-42-39(60)36(57)33(54)26(65-42)19-62-40-37(58)34(55)31(52)24(17-49)63-40)16-15-46(5)23(30(22)48)7-8-28-44(3)12-11-29(45(4,20-51)27(44)10-13-47(28,46)6)66-41-38(59)35(56)32(53)25(18-50)64-41/h22-42,49-60H,1,7-20H2,2-6H3/t22-,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,44-,45-,46+,47+,48-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H]([C@]3(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CC[C@H]2C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera bournei Hemsl. Ref.
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