(Q105008293)

English

(2E,4E)-5-[(1R,2S,4aS,6R,8R,8aR)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]penta-2,4-dienoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl)penta-2,4-dienoic acid

1 reference

based on heuristic

inferred from SMILES

mass

290.188194692 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₁₈H₂₆O₃

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canonical SMILES

O=C(O)C=CC=CC1C(C=CC2CC(O)(C)CC(C)C21)C

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isomeric SMILES

C[C@H]1C=C[C@@H]2C[C@](C)(O)C[C@@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O

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found in taxon

Penicillium citrinum

1 reference

stated in

Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species

Penicillium steckii

1 reference

stated in

Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species

Identifiers

InChI

InChI=1S/C18H26O3/c1-12-8-9-14-11-18(3,21)10-13(2)17(14)15(12)6-4-5-7-16(19)20/h4-9,12-15,17,21H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,13+,14+,15+,17+,18+/m0/s1

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InChIKey

GGRDDTWLVPZMAU-JYXSPLOTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GGRDDTWLVPZMAU-JYXSPLOTSA-N

(Q105008293)

(2E,4E)-5-[(1R,2S,4aS,6R,8R,8aR)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]penta-2,4-dienoic acid

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Identifiers

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