(Q105331620)

English

4-Hydroxy-3,6,9-trimethylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

group of stereoisomers with the chemical formula C₂₁H₂₈O₉

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instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

424.173332476 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₉

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canonical SMILES

O=C1OC2C(C1=C)C(O)CC(=C)C3CC(OC4OC(CO)C(O)C(O)C4O)C(=C)C23

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Identifiers

InChI

InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h10-19,21-26H,1-6H2

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InChIKey

XNFZJASXPNFCQW-UHFFFAOYSA-N

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2 references

4 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

XNFZJASXPNFCQW-UHFFFAOYSA-N

1 reference

(Q105331620)

4-Hydroxy-3,6,9-trimethylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

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Identifiers

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