6,13-dihydroxypunctaporonin B (CHEBI:203439)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	6,13-dihydroxypunctaporonin B

ChEBI ID	CHEBI:203439

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O5

Net Charge

Average Mass

284.352

Monoisotopic Mass

284.16237

InChI

InChI=1S/C15H24O5/c1-13(9-17)6-11-10(8-16)4-3-5-14(2,19)7-12(18)15(11,13)20/h3-5,11-12,16-20H,6-9H2,1-2H3/b5-3-,10-4-/t11-,12+,13-,14-,15-/m1/s1

InChIKey

OMAVQHVNZBZVDT-JOSLDIJJSA-N

SMILES

O[C@@]1(C=CC=C(CO)[C@@H]2[C@]([C@H](C1)O)(O)[C@](C2)(CO)C)C

Metabolite of Species	Details
Pestalotiopsisspecies (NCBI:txid36460)	See: DOI

ChEBI Ontology
Outgoing	6,13-dihydroxypunctaporonin B (CHEBI:203439) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(1S,2S,4S,5Z,7E,9R,11R)-8,11-bis(hydroxymethyl)-4,11-dimethylbicyclo[7.2.0]undeca-5,7-diene-1,2,4-triol