Terminology Service for NFDI4Health
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gutolactone

Go to external page http://purl.obolibrary.org/obo/CHEBI_65989

A quassinoid isolated from Simaba guianensis and has been shown to exhibit antimalarial activity.

Term info

Label

gutolactone

Synonyms
  • (1beta,11beta,12alpha,13beta,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl 3-methylbut-2-enoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1beta,11beta,12alpha,13beta,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl 3-methylbut-2-enoate [ IUPAC ]

charge

0

formula

C25H32O9

has obo namespace

chebi_ontology

id

CHEBI:65989

inchi

InChI=1S/C25H32O9/c1-10(2)6-15(27)34-17-19-24(5)21(30)16(28)18-23(4)12(11(3)7-13(26)20(23)29)8-14(33-22(17)31)25(18,19)9-32-24/h6-7,12,14,16-21,28-30H,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19-,20+,21-,23-,24-,25+/m0/s1

inchikey

WSUNNCJENRRPLS-DQVMPRLHSA-N

mass

476.51620

monoisotopicmass

476.20463

smiles

[H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(=O)C=C(C)C)C(=O)O2