input word = C00047704

Metabolite InformationStructural formula
Name Alangilignoside D
Formula C27H36O12
Mw 552.22067662
CAS RN 193153-53-6
C_ID C00047704 ,
InChIKey YGRWFPJAWHTYSP-YPWZMHSWNA-N
InChICode InChI=1S/C27H36O12/c1-34-18-7-13(4-5-17(18)29)6-15-11-37-26(14-8-19(35-2)22(30)20(9-14)36-3)16(15)12-38-27-25(33)24(32)23(31)21(10-28)39-27/h4-5,7-9,15-16,21,23-33H,6,10-12H2,1-3H3/t15-,16-,21+,23+,24-,25+,26+,27+/m0/s1
SMILES COc1cc(C[C@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis flavicans Ref.
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