(Q105381489)

English

NCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside

group of stereoisomers with the chemical formula C₂₁H₃₈O₁₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

450.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₈O₁₀

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canonical SMILES

OCC1OC(OC(C)(C)C2CCC(O)(CO)C3CC(O)C(O)(C)C3C2)C(O)C(O)C1O

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found in taxon

Atractylodes macrocephala

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stated in

Glycosides of Atractylodes lancea

Atractylodes lancea

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stated in

Glycosides of Atractylodes japonica

Atractylodes japonica

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stated in

Glycosides of Atractylodes japonica

stated in

Glycosides of Atractylodes ovata

stated in

Glycosides of Atractylodes lancea

Identifiers

InChI

InChI=1S/C21H38O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-18,22-29H,4-9H2,1-3H3

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InChIKey

ZQIOVWYOYSNXID-UHFFFAOYSA-N

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CAS Registry Number

126054-78-2

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZQIOVWYOYSNXID-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZQIOVWYOYSNXID-UHFFFAOYSA-N

(Q105381489)

NCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside

Statements

Identifiers

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