input word = C00054442

Metabolite InformationStructural formula
Name Cydonioside A
Formula C27H40O12
Mw 556.25197674
CAS RN 956901-16-9
C_ID C00054442
InChIKey NFOYWJUHKOLRCD-UQOMUMHLSA-N
InChICode InChI=1S/C27H40O12/c1-13(5-6-26(34)27(35)18(29)12-36-22(27)23(33)39-26)7-15-8-14(2)9-16(10-25(15,3)4)37-24-21(32)20(31)19(30)17(11-28)38-24/h5,7-8,16-22,24,28-32,34-35H,6,9-12H2,1-4H3/b13-5+,15-7+
SMILES CC1=C/C(=CC(C)=CCC2(O)OC(=O)C3OCC(O)C32O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCydonia vulgaris Ref.
zoom in