(Q105113908)

English

5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2S,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde

chemical compound

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type of chemical entity

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subclass of

5-Chloro-2,4-dihydroxy-6-methyl-3-[3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]benzaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

406.191087152 dalton

1 reference

1 reference

C₂₃H₃₁ClO₄

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canonical SMILES

O=CC1=C(O)C(=C(O)C(Cl)=C1C)CC=C(C)CCC2(C)C(C(=O)CCC2C)C

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isomeric SMILES

C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@]1(C)[C@H](C)C(=O)CC[C@H]1C

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found in taxon

Nectria selenosporii

1 reference

stated in

Metabolites of Nectria coccinea

Neonectria coccinea

1 reference

stated in

Metabolites of Nectria coccinea

Identifiers

InChI

InChI=1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16-,23+/m1/s1

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InChIKey

IJEHYEVNWOYGMS-WEEUJTPFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IJEHYEVNWOYGMS-WEEUJTPFSA-N

(Q105113908)

5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2S,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde

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