input word = C00036217

Metabolite InformationStructural formula
Name Stachysoside A
Formula C21H34O15
Mw 526.18977042
CAS RN 131862-10-7
C_ID C00036217 ,
InChIKey FQUORBSJLORVQE-UHFFFAOYNA-N
InChICode InChI=1S/C21H34O15/c1-20(30)4-9(23)21(31)2-3-32-19(16(20)21)36-18-15(29)13(27)11(25)8(35-18)6-33-17-14(28)12(26)10(24)7(5-22)34-17/h2-3,7-19,22-31H,4-6H2,1H3/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16+,17-,18+,19-,20+,21-/m0/s1
SMILES O1C=C[C@]2([C@H]([C@@H]1O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)O)O)O)[C@](C[C@@H]2O)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium velutinum Ref.
PlantaeLabiataeStachys sieboldii Ref.
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OrganismStachys sieboldii
ReferenceScarpati,M.L.et al.,Tet.Lett.,(1965),3439-3443