(Q105282668)

English

6,7-Dihydroxy-7-[3-(hydroxymethyl)oxiranyl]-2-(1-propenyl)-2,4-heptadienal

group of stereoisomers with the chemical formula C₁₃H₁₈O₅

In more languages

Statements

group of stereoisomers

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biogenic acyclic epoxide

1 reference

biogenic acyclic epoxide

254.115423676 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₈O₅

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canonical SMILES

O=CC(=CC=CC(O)C(O)C1OC1CO)C=CC

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isomeric SMILES

C/C=C/C(C=O)=C/C=C/C(O)C(O)C1OC1CO

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based on heuristic

inferred from InChI

Menisporopsis theobromae

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Bioactive compounds from the seed fungus Menisporopsis theobromae BCC 3975.

Identifiers

InChI=1S/C13H18O5/c1-2-4-9(7-14)5-3-6-10(16)12(17)13-11(8-15)18-13/h2-7,10-13,15-17H,8H2,1H3/b4-2+,6-3+,9-5-

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VAEGPTFYQCVMTP-HUJNKONTSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C13H18O5/c1-2-4-9(7-14)5-3-6-10(16)12(17)13-11(8-15)18-13/h2-7,10-13,15-17H,8H2,1H3/b4-2+,6-3+,9-5-

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VAEGPTFYQCVMTP-HUJNKONTSA-N

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