input word = C00058430

Metabolite InformationStructural formula
Name Clemochinenoside A
Formula C30H36O18
Mw 684.19016435
CAS RN 142937-46-0
C_ID C00058430
InChIKey NEVMWOQJRSZYIC-UUANRDTJSA-N
InChICode InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)47-29-23(35)21(33)19(31)17(45-29)10-44-28(38)12-7-15(41-3)26(16(8-12)42-4)48-30-24(36)22(34)20(32)18(46-30)9-43-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1
SMILES COc1cc2cc(OC)c1O[C@@H]1O[C@H](COC(=O)c3cc(OC)c(c(OC)c3)O[C@@H]3O[C@H](COC2=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeClematis chinensis Ref.
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