input word = C00010347

Metabolite InformationStructural formula
Name Phlebotrichin
Formula C22H30O9
Mw 438.18898256
CAS RN 87392-63-0
C_ID C00010347 ,
InChIKey ROOOAGWFZPFECL-LCGLOXKGNA-N
InChICode InChI=1S/C22H30O9/c1-4-22(3,28)11-5-6-13(2)20(27)29-12-16-17(24)18(25)19(26)21(31-16)30-15-9-7-14(23)8-10-15/h4,6-10,16-19,21,23-26,28H,1,5,11-12H2,2-3H3/b13-6+/t16-,17-,18+,19+,21-,22-/m1/s1
SMILES C(C/C=C(\C)/C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)Oc1ccc(cc1)O)O)O)O)[C@](C=C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum phlebotrichum Ref.
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