(Q76856219)

English

(Z)-7-[(3R,4S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid

chemical compound

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Statements

type of chemical entity

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chemical compound

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350.24570956799994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₃₄O₄

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canonical SMILES

CCCCCC(O)C=CC1OC2CC(C2)C1CC=CCCCC(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H](C2CC(C2)O1)C/C=C\CCCC(=O)O)O

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Identifiers

InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-20-19(16-14-18(15-16)25-20)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18?,19-,20+/m0/s1

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VQUUFWNZZIMDBR-FFYWQILMSA-N

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UniChem compound ID

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