input word = C00036834

Metabolite InformationStructural formula
Name Bourneioside A
(+)-Bourneioside A
Formula C42H68O14
Mw 796.46090688
CAS RN 308358-91-0
C_ID C00036834 ,
InChIKey ORESVIJUAVPRJL-OKGGFLGCNA-N
InChICode InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(18-44)54-36)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(39(4,19-45)25(38)10-13-41(26,40)6)55-35-33(50)31(48)29(46)23(17-43)53-35/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,38-,39-,40+,41+,42-/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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera bournei Hemsl. Ref.
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