input word = C00055540

Metabolite InformationStructural formula
Name Citrusoside A
Formula C21H36O7
Mw 400.2461035
CAS RN 1255789-51-5
C_ID C00055540
InChIKey MHJOAVXYKHQVFT-NWECRORVSA-N
InChICode InChI=1S/C21H36O7/c1-13(2)8-6-9-15(5)10-7-11-17(22)26-12-16-18(23)19(24)20(25)21(28-16)27-14(3)4/h7-8,11,14-16,18-21,23-25H,6,9-10,12H2,1-5H3/b11-7+/t15-,16-,18-,19+,20-,21-/m1/s1
SMILES C/C(C)=C/CC[C@@H](C)C/C=C/C(OC[C@H]([C@@H](O)[C@H](O)[C@H]1O)O[C@H]1OC(C)C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hystrix Ref.
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