input word = C00062055

Metabolite InformationStructural formula
Name 16-Hydroxyingenol
Formula C20H28O6
Mw 364.18858863
CAS RN 52557-29-6
C_ID C00062055
InChIKey AZXGMVPOGCUUJQ-KOUANQCISA-N
InChICode InChI=1S/C20H28O6/c1-9-6-19-10(2)4-13-14(18(13,3)8-22)12(17(19)25)5-11(7-21)16(24)20(19,26)15(9)23/h5-6,10,12-16,21-24,26H,4,7-8H2,1-3H3/t10-,12+,13?,14?,15+,16-,18?,19+,20-/m1/s1;InChI=1S/C20H28O6/c1-9-6-19-10(2)4-13-14(18(13,3)8-22)12(17(19)25)5-11(7-21)16(24)20(19,26)15(9)23/h5-6,10,12-16,21-24,26H,4,7-8H2,1-3H3/t10-,12+,13-,14+,15+,16-,18+,19+,20-/m1/s1
SMILES CC1=CC23C(=O)C(C=C(CO)C(O)C2(O)C1O)C1C(CC3C)C1(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
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