input word = C00045844

Metabolite InformationStructural formula
Name Dictamnoside G
Formula C27H46O14
Mw 594.28875618
CAS RN 256528-97-9
C_ID C00045844 ,
InChIKey MUHQVUVBSBAZQQ-ZDTNRUQKNA-N
InChICode InChI=1S/C27H46O14/c1-11-4-5-15(30)27(10-29)7-6-12(26(2,3)37)23(16(11)27)41-25-22(36)20(34)18(32)14(40-25)9-38-24-21(35)19(33)17(31)13(8-28)39-24/h12-25,28-37H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24+,25+,27+/m1/s1
SMILES C1C[C@@H]([C@@]2([C@@H](C1=C)[C@@H]([C@@H](CC2)C(O)(C)C)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)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeDictamnus dasycarpus Ref.
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