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 OC1C2(O)C(C(OC2(O)C/C=C(C)/C=C3C(C)(C)CC(OC4C(O)C(O)C(O)C(CO)O4)CC(C)=C/3)=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCydonia vulgaris Ref.
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