input word = C00036070

Metabolite InformationStructural formula
Name Buddlejoside A10
Formula C34H44O18
Mw 740.25276461
CAS RN 140187-16-2
C_ID C00036070 ,
InChIKey DHVIJZMBLVQPGZ-SOFGYWHQNA-N
InChICode InChI=1S/C34H44O18/c1-14-27(49-21(38)8-6-16-5-7-18(43-3)19(11-16)44-4)29(47-15(2)37)26(42)33(46-14)50-28-17-9-10-45-31(22(17)34(13-36)30(28)52-34)51-32-25(41)24(40)23(39)20(12-35)48-32/h5-11,14,17,20,22-33,35-36,39-42H,12-13H2,1-4H3/b8-6+/t14-,17-,20+,22+,23+,24-,25+,26+,27-,28-,29-,30-,31-,32-,33-,34+/m0/s1
SMILES [C@H]1(O[C@H]([C@@H]([C@@H]([C@H]1OC(=O)/C=C/c1ccc(c(c1)OC)OC)OC(=O)C)O)O[C@H]1[C@@H]2[C@@H]([C@@]3([C@H]1O3)CO)[C@@H](OC=C2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja japonica Hemsl. Ref.
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