(Q105379787)

English

10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-2-yl (2E)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₀H₂₈O₆

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No description defined

Statements

group of stereoisomers

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germacrane sesquiterpenoid

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germacrane sesquiterpenoid

364.188588616 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₆

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canonical SMILES

O=C(OC1C2OC2(C)CCCC(C)C(O)C3OC(=O)C(=C)C31)C(=CC)C

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isomeric SMILES

C=C1C(=O)OC2C(O)C(C)CCCC3(C)OC3C(OC(=O)/C(C)=C/C)C12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6+

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ZMXFZZOCUKHAFO-UXBLZVDNSA-N

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1 reference

matched by identifier from

ZMXFZZOCUKHAFO-UXBLZVDNSA-N

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6+

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZMXFZZOCUKHAFO-UXBLZVDNSA-N

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