(Q104946515)

English

(E,2S,4R)-6-[(2S,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[5-(1-Hydroxyethyl)-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid

1 reference

1 reference

(Z)-6-[(2S,5S)-5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

284.198759376 dalton

1 reference

1 reference

(E,2R,4R)-6-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₈O₄

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canonical SMILES

O=C(O)C(C)CC(C=C(C)C1OC(C)(CC1)C(O)C)C

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isomeric SMILES

C/C(=C\[C@H](C)C[C@H](C)C(=O)O)[C@@H]1CC[C@@](C)([C@@H](C)O)O1

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found in taxon

Aspergillus niger

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stated in

Biosynthetically diverse compounds from a saltwater culture of sponge-derived Aspergillus niger

Identifiers

InChI

InChI=1S/C16H28O4/c1-10(9-12(3)15(18)19)8-11(2)14-6-7-16(5,20-14)13(4)17/h8,10,12-14,17H,6-7,9H2,1-5H3,(H,18,19)/b11-8+/t10-,12-,13+,14-,16-/m0/s1

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InChIKey

BVFQDPRIMUDOQZ-CTRZWFJWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVFQDPRIMUDOQZ-CTRZWFJWSA-N

(Q104946515)

(E,2S,4R)-6-[(2S,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid

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Identifiers

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