(Q104996278)

English

9a-Hydroxy-3,8a-dimethyl-5-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one

group of stereoisomers with the chemical formula C₂₁H₃₀O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

426.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₉

0 references

canonical SMILES

O=C1OC2(O)C(=C1C)CC3C(=C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)C2

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found in taxon

Atractylodes lancea

2 references

stated in

Glycosides of Atractylodes japonica

stated in

Glycosides of Atractylodes lancea

Atractylodes japonica

2 references

stated in

Glycosides of Atractylodes japonica

stated in

Glycosides of Atractylodes lancea

Identifiers

InChI

InChI=1S/C21H30O9/c1-9-11-6-12-10(2)18(26)30-21(12,27)8-20(11,3)5-4-13(9)28-19-17(25)16(24)15(23)14(7-22)29-19/h11,13-17,19,22-25,27H,1,4-8H2,2-3H3

0 references

InChIKey

FJROEPPXQDZORC-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FJROEPPXQDZORC-UHFFFAOYSA-N

(Q104996278)

9a-Hydroxy-3,8a-dimethyl-5-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one

Statements

Identifiers

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