Plakortic acid (Q27154919)

CHEBI:80948 (English)

9 October 2016

chemical formula

C₁₇H₃₀O₄

1 reference

CHEBI:80948 (English)

9 October 2016

canonical SMILES

CCC=CC(CC)CC1(CC(C(OO1)CC(=O)O)CC)C

1 reference

CHEBI:80948 (English)

9 October 2016

isomeric SMILES

CC/C=C/C(CC)CC1(CC(C(OO1)CC(=O)O)CC)C

1 reference

CHEBI:80948 (English)

Plakortis halichondrioides

9 October 2016

found in taxon

1 reference

Three new cytotoxic metabolites from the marine sponge Plakortis halichondrioides

Plakortis

2 references

Antifungal peroxide-containing acids from two Caribbean sponges

The structures and cytotoxic properties of polyketide peroxides from a Plakortis sponge

Identifiers

InChI

InChI=1S/C17H30O4/c1-5-8-9-13(6-2)11-17(4)12-14(7-3)15(20-21-17)10-16(18)19/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,18,19)/b9-8+

1 reference

CHEBI:80948 (English)

ZCLJFHUIADAYRQ-CMDGGOBGSA-N

9 October 2016

InChIKey

2 references

CHEBI:80948 (English)

9 October 2016

ChEBI release 2020-09-01

1 reference

Plakortic acid (English)

9 October 2016

1 reference

{4-Ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-1,2-dioxan-3-yl}acetic acid (English)

9 October 2016

1 reference

CHEBI:80948 (English)

9 October 2016

ChEBI ID

80948

mapping relation type

2 references

Plakortic acid (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H30O4/c1-5-8-9-13(6-2)11-17(4)12-14(7-3)15(20-21-17)10-16(18)19/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,18,19)/b9-8+

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

Plakortic acid (English)