input word = C00034943

Metabolite InformationStructural formula
Name Newbouldioside A
(-)-Newbouldioside A
Formula C34H46O20
Mw 774.25824391
CAS RN 886854-76-8
C_ID C00034943 ,
InChIKey OQGPPQIHDKLXQO-OSIDGMMQNA-N
InChICode InChI=1S/C34H46O20/c1-14-22(38)24(40)25(41)31(51-14)53-27-21(11-35)52-32(48-7-6-15-4-5-17(36)18(37)8-15)28(26(27)42)54-33-29(43)34(45,13-50-33)12-49-30(44)16-9-19(46-2)23(39)20(10-16)47-3/h4-5,8-10,14,21-22,24-29,31-33,35-43,45H,6-7,11-13H2,1-3H3/t14-,21+,22-,24+,25+,26-,27?,28+,29-,31-,32+,33-,34+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OCCc1ccc(c(c1)O)O)O[C@@H]1OC[C@@]([C@H]1O)(COC(=O)c1cc(c(c(c1)OC)O)OC)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeNewbouldia laevis Ref.
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