input word = C00010667

Metabolite InformationStructural formula
Name Pulchelloside I
Formula C17H26O12
Mw 422.1424263
CAS RN 67244-49-9
C_ID C00010667 ,
InChIKey LGTHGFVYOAZGBN-XWCOCPMQNA-N
InChICode InChI=1S/C17H26O12/c1-5-8-15(29-16-12(22)11(21)10(20)7(3-18)28-16)27-4-6(14(24)26-2)17(8,25)13(23)9(5)19/h4-5,7-13,15-16,18-23,25H,3H2,1-2H3/t5-,7+,8-,9+,10+,11-,12-,13+,15-,16-,17-/m0/s1
SMILES [C@@]12([C@H]([C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[C@@H]([C@H]([C@H]2O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena pulchella Ref.
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OrganismVerbena pulchella
ReferenceMilz,Tetrahedron Lett.,(1978),895