input word = C00045737

Metabolite InformationStructural formula
Name Caudatoside C
(-)-Caudatoside C
Formula C26H32O13
Mw 552.18429111
CAS RN 477343-56-9
C_ID C00045737 ,
InChIKey DOJKTKQXEVTQMI-IZQMGNSJNA-N
InChICode InChI=1S/C26H32O13/c1-11-17-18(23(19(11)30)38-16(29)8-5-12-3-6-13(28)7-4-12)14(24(34)35-2)10-36-25(17)39-26-22(33)21(32)20(31)15(9-27)37-26/h3-8,10-11,15,17-23,25-28,30-33H,9H2,1-2H3/b8-5+/t11-,15+,17+,18+,19+,20+,21-,22+,23-,25-,26-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeCitharexylum caudatum Ref.
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