input word = C00021169

Metabolite InformationStructural formula
Name 6alpha-Hydroxypulchellin
Formula C15H22O5
Mw 282.14672381
CAS RN 117678-17-8
C_ID C00021169 ,
InChIKey CHHJAEIMNOFHLW-XQYDHELGNA-N
InChICode InChI=1S/C15H22O5/c1-6-4-9-11(7(2)14(19)20-9)13(18)15(3)10(17)5-8(16)12(6)15/h6,8-13,16-18H,2,4-5H2,1,3H3/t6-,8+,9+,10-,11+,12-,13+,15-/m1/s1
SMILES [C@@H]12[C@]([C@H]([C@@H]3[C@H](C[C@H]1C)OC(=O)C3=C)O)([C@@H](C[C@@H]2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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