(Q103815857)

English

(5S)-5-hydroxy-5-methyl-8-propan-2-yl-6,7,8,8a-tetrahydro-4aH-naphthalene-2-carboxylic acid

group of stereoisomers with the chemical formula C₁₅H₂₂O₃

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Statements

instance of

group of stereoisomers

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subclass of

cadinane sesquiterpenoid

1 reference

inferred from

cadinane sesquiterpenoid

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₃

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canonical SMILES

O=C(O)C=1C=CC2C(C1)C(CCC2(O)C)C(C)C

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isomeric SMILES

CC(C)C1CC[C@](C)(O)C2C=CC(C(=O)O)=CC12

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found in taxon

Heterotheca inuloides

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stated in

Antiinflammatory constituents from Heterotheca inuloides

Identifiers

InChI

InChI=1S/C15H22O3/c1-9(2)11-6-7-15(3,18)13-5-4-10(14(16)17)8-12(11)13/h4-5,8-9,11-13,18H,6-7H2,1-3H3,(H,16,17)/t11?,12?,13?,15-/m0/s1

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InChIKey

YGDLCCUZWVPCTF-WOFVOEOOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGDLCCUZWVPCTF-WOFVOEOOSA-N

(Q103815857)

(5S)-5-hydroxy-5-methyl-8-propan-2-yl-6,7,8,8a-tetrahydro-4aH-naphthalene-2-carboxylic acid

Statements

Identifiers

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