input word = C00010515

Metabolite InformationStructural formula
Name Picroside III
Formula C25H30O13
Mw 538.16864105
CAS RN 64461-95-6
C_ID C00010515 ,
InChIKey DPHFMUYFANVRJL-UNUYQCLRNA-N
InChICode InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)27)3-5-16(28)35-9-15-19(30)20(31)21(32)24(36-15)37-23-17-12(6-7-34-23)18(29)22-25(17,10-26)38-22/h2-8,12,15,17-24,26-27,29-32H,9-10H2,1H3/b5-3+/t12-,15+,17-,18+,19+,20+,21+,22+,23+,24-,25-/m1/s1
SMILES [C@@H]1([C@H]2[C@@H](C=CO1)[C@@H]([C@H]1[C@@]2(O1)CO)O)O[C@H]1O[C@@H](COC(=O)/C=C/c2ccc(c(c2)OC)O)[C@@H]([C@@H]([C@@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria albida subsp.albida Ref.
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
PlantaePlantaginaceaePicrorhiza kurrooa Ref.
--Picrorrhiza kurrooa Ref.
zoom in