(Q105112032)

English

3-[(1S,2S,4aR,6R,8aS)-6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[6-(Hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

252.172544628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₄O₃

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canonical SMILES

O=C(O)CCC1C(C=CC2CC(CO)CCC21)C

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isomeric SMILES

C[C@H]1C=C[C@H]2C[C@H](CO)CC[C@@H]2[C@H]1CCC(=O)O

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found in taxon

Aspergillus sclerotiorum

1 reference

stated in

Lovastatin Analogues from the Soil-Derived Fungus Aspergillus sclerotiorum PSU-RSPG178.

Identifiers

InChI

InChI=1S/C15H24O3/c1-10-2-4-12-8-11(9-16)3-5-14(12)13(10)6-7-15(17)18/h2,4,10-14,16H,3,5-9H2,1H3,(H,17,18)/t10-,11+,12-,13-,14-/m0/s1

0 references

InChIKey

IEYGSRROAFACDI-NDKCEZKHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IEYGSRROAFACDI-NDKCEZKHSA-N

ChEBI ID

227733

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H24O3/c1-10-2-4-12-8-11(9-16)3-5-14(12)13(10)6-7-15(17)18/h2,4,10-14,16H,3,5-9H2,1H3,(H,17,18)/t10-,11+,12-,13-,14-/m0/s1

1 reference

Natural Product Atlas ID

NPA021950

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IEYGSRROAFACDI-NDKCEZKHSA-N

(Q105112032)

3-[(1S,2S,4aR,6R,8aS)-6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propanoic acid

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Identifiers

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